6,7-dimethyl-3-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-1H-quinolin-2-one

Systemtic Name: 6,7-dimethyl-3-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-1H-quinolin-2-one Openeye Name: 6,7-dimethyl-3-[(S)-(1-phenethyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-1H-quinolin-2-one CAS Name: 6,7-dimethyl-3-[(S)-(1-phenethyl-5-tetrazolyl)-(1-piperidin-1-iumyl)methyl]-1H-quinolin-2-one IUPAC Name: 6,7-dimethyl-3-[(S)-(1-phenethyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one Traditional Name: 6,7-dimethyl-3-[(S)-(1-phenethyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]carbostyril Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)C(C3=NN=NN3CCC4=CC=CC=C4)[NH+]5CCCCC5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3CCC4=CC=CC=C4)[NH+]5CCCCC5)C

InChI

InChI=1S/C26H30N6O/c1-18-15-21-17-22(26(33)27-23(21)16-19(18)2)24(31-12-7-4-8-13-31)25-28-29-30-32(25)14-11-20-9-5-3-6-10-20/h3,5-6,9-10,15-17,24H,4,7-8,11-14H2,1-2H3,(H,27,33)/p+1/t24-/m0/s1