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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]propyl]-[(2-methoxyphenyl)methyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-[(2-methoxyphenyl)methyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-methoxyethyl)-5-tetrazolyl]propyl]-[(2-methoxyphenyl)methyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-[(2-methoxyphenyl)methyl]azanium Traditional Name: (2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-o-anisyl-ammonium Formula: C27H35N6O3+ MolecularWeight: 491.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1CCOC)[NH+](CC2=CC=CC=C2OC)CC3=CC4=CC(=C(C=C4NC3=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1CCOC)[NH+](CC2=CC=CC=C2OC)CC3=CC4=CC(=C(C=C4NC3=O)C)C

InChI

InChI=1S/C27H34N6O3/c1-6-24(26-29-30-31-33(26)11-12-35-4)32(16-20-9-7-8-10-25(20)36-5)17-22-15-21-13-18(2)19(3)14-23(21)28-27(22)34/h7-10,13-15,24H,6,11-12,16-17H2,1-5H3,(H,28,34)/p+1/t24-/m0/s1