3-[(S)-azepan-1-ium-1-yl-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one

Systemtic Name: 3-[(S)-azepan-1-ium-1-yl-(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one Openeye Name: 3-[(S)-azepan-1-ium-1-yl-(1-phenethyltetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one CAS Name: 3-[(S)-1-azepan-1-iumyl-(1-phenethyl-5-tetrazolyl)methyl]-5,8-dimethyl-1H-quinolin-2-one IUPAC Name: 3-[(S)-azepan-1-ium-1-yl-(1-phenethyltetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one Traditional Name: 3-[(S)-azepan-1-ium-1-yl-(1-phenethyltetrazol-5-yl)methyl]-5,8-dimethyl-carbostyril Formula: C27H33N6O+ MolecularWeight: 457.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)C(C3=NN=NN3CCC4=CC=CC=C4)[NH+]5CCCCCC5

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)[C@@H](C3=NN=NN3CCC4=CC=CC=C4)[NH+]5CCCCCC5

InChI

InChI=1S/C27H32N6O/c1-19-12-13-20(2)24-22(19)18-23(27(34)28-24)25(32-15-8-3-4-9-16-32)26-29-30-31-33(26)17-14-21-10-6-5-7-11-21/h5-7,10-13,18,25H,3-4,8-9,14-17H2,1-2H3,(H,28,34)/p+1/t25-/m0/s1