[7-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl-[(1S)-1-naphthalen-1-ylethyl]azanium

Systemtic Name: [7-methyl-2-(4-oxidanylpiperidin-1-yl)quinolin-1-ium-3-yl]methyl-[(1S)-1-naphthalen-1-ylethyl]azanium Openeye Name: [2-(4-hydroxy-1-piperidyl)-7-methyl-quinolin-1-ium-3-yl]methyl-[(1S)-1-(1-naphthyl)ethyl]ammonium CAS Name: [2-(4-hydroxy-1-piperidinyl)-7-methyl-3-quinolin-1-iumyl]methyl-[(1S)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: [2-(4-hydroxypiperidin-1-yl)-7-methylquinolin-1-ium-3-yl]methyl-[(1S)-1-naphthalen-1-ylethyl]azanium Traditional Name: [2-(4-hydroxypiperidino)-7-methyl-quinolin-1-ium-3-yl]methyl-[(1S)-1-(1-naphthyl)ethyl]ammonium Formula: C28H33N3O+2 MolecularWeight: 427.58112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]C(C)C3=CC=CC4=CC=CC=C43)N5CCC(CC5)O

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+][C@@H](C)C3=CC=CC4=CC=CC=C43)N5CCC(CC5)O

InChI

InChI=1S/C28H31N3O/c1-19-10-11-22-17-23(28(30-27(22)16-19)31-14-12-24(32)13-15-31)18-29-20(2)25-9-5-7-21-6-3-4-8-26(21)25/h3-11,16-17,20,24,29,32H,12-15,18H2,1-2H3/p+2/t20-/m0/s1