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

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

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3CCC4=CC=CC=C4)[NH+]5CCCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)[C@@H](C3=NN=NN3CCC4=CC=CC=C4)[NH+]5CCCCC5

InChI

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