[(1S)-1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)propyl]-[2-(3,4-dimethoxyphenyl)ethyl]-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium

Systemtic Name: [(1S)-1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)propyl]-[2-(3,4-dimethoxyphenyl)ethyl]-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]azanium Openeye Name: [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-[2-(3,4-dimethoxyphenyl)ethyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium CAS Name: [(1S)-1-(1-tert-butyl-5-tetrazolyl)propyl]-[2-(3,4-dimethoxyphenyl)ethyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]ammonium IUPAC Name: [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-[2-(3,4-dimethoxyphenyl)ethyl]-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]azanium Traditional Name: [(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-homoveratryl-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]ammonium Formula: C30H41N6O3+ MolecularWeight: 533.68494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=NN1C(C)(C)C)[NH+](CCC2=CC(=C(C=C2)OC)OC)CC3=CC4=CC(=C(C=C4NC3=O)C)C

Isomeric SMILES

CC[C@@H](C1=NN=NN1C(C)(C)C)[NH+](CCC2=CC(=C(C=C2)OC)OC)CC3=CC4=CC(=C(C=C4NC3=O)C)C

InChI

InChI=1S/C30H40N6O3/c1-9-25(28-32-33-34-36(28)30(4,5)6)35(13-12-21-10-11-26(38-7)27(16-21)39-8)18-23-17-22-14-19(2)20(3)15-24(22)31-29(23)37/h10-11,14-17,25H,9,12-13,18H2,1-8H3,(H,31,37)/p+1/t25-/m0/s1