(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]propyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrazol-5-yl]propyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]-(3-pyridylmethyl)ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]propyl]-(3-pyridinylmethyl)ammonium IUPAC Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-[(1S)-1-(1-p-anisyltetrazol-5-yl)propyl]-(3-pyridylmethyl)ammonium Formula: C30H34N7O2+ MolecularWeight: 524.63666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CC2=CC=C(C=C2)OC)[NH+](CC3=CN=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1CC2=CC=C(C=C2)OC)[NH+](CC3=CN=CC=C3)CC4=CC5=CC(=C(C=C5NC4=O)C)C

InChI

InChI=1S/C30H33N7O2/c1-5-28(29-33-34-35-37(29)18-22-8-10-26(39-4)11-9-22)36(17-23-7-6-12-31-16-23)19-25-15-24-13-20(2)21(3)14-27(24)32-30(25)38/h6-16,28H,5,17-19H2,1-4H3,(H,32,38)/p+1/t28-/m0/s1