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

Systemtic Name: 6-methoxy-3-[(S)-(1-phenethyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-1H-quinolin-2-one Openeye Name: 6-methoxy-3-[(S)-(1-phenethyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-1H-quinolin-2-one CAS Name: 6-methoxy-3-[(S)-(1-phenethyl-5-tetrazolyl)-(1-piperidin-1-iumyl)methyl]-1H-quinolin-2-one IUPAC Name: 6-methoxy-3-[(S)-(1-phenethyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one Traditional Name: 6-methoxy-3-[(S)-(1-phenethyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]carbostyril Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)[NH+]5CCCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)[C@@H](C3=NN=NN3CCC4=CC=CC=C4)[NH+]5CCCCC5

InChI

InChI=1S/C25H28N6O2/c1-33-20-10-11-22-19(16-20)17-21(25(32)26-22)23(30-13-6-3-7-14-30)24-27-28-29-31(24)15-12-18-8-4-2-5-9-18/h2,4-5,8-11,16-17,23H,3,6-7,12-15H2,1H3,(H,26,32)/p+1/t23-/m0/s1