cyclopentyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium

Systemtic Name: cyclopentyl-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-[(1-phenethyl-1,2,3,4-tetrazol-5-yl)methyl]azanium Openeye Name: cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]ammonium CAS Name: cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyl-5-tetrazolyl)methyl]ammonium IUPAC Name: cyclopentyl-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]azanium Traditional Name: cyclopentyl-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-[(1-phenethyltetrazol-5-yl)methyl]ammonium Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)C[NH+](CC3=NN=NN3CCC4=CC=CC=C4)C5CCCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)C[NH+](CC3=NN=NN3CCC4=CC=CC=C4)C5CCCC5

InChI

InChI=1S/C26H30N6O/c1-19-8-7-11-21-16-22(26(33)27-25(19)21)17-31(23-12-5-6-13-23)18-24-28-29-30-32(24)15-14-20-9-3-2-4-10-20/h2-4,7-11,16,23H,5-6,12-15,17-18H2,1H3,(H,27,33)/p+1