cyclopropyl-[[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-7-methoxy-quinolin-1-ium-3-yl]methyl]azanium

Systemtic Name: cyclopropyl-[[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-7-methoxy-quinolin-1-ium-3-yl]methyl]azanium Openeye Name: cyclopropyl-[[2-[(3S)-3-(hydroxymethyl)-1-piperidyl]-7-methoxy-quinolin-1-ium-3-yl]methyl]ammonium CAS Name: cyclopropyl-[[2-[(3S)-3-(hydroxymethyl)-1-piperidinyl]-7-methoxy-3-quinolin-1-iumyl]methyl]ammonium IUPAC Name: cyclopropyl-[[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-7-methoxyquinolin-1-ium-3-yl]methyl]azanium Traditional Name: cyclopropyl-[[7-methoxy-2-[(3S)-3-methylolpiperidino]quinolin-1-ium-3-yl]methyl]ammonium Formula: C20H29N3O2+2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]C3CC3)N4CCCC(C4)CO

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]C3CC3)N4CCC[C@@H](C4)CO

InChI

InChI=1S/C20H27N3O2/c1-25-18-7-4-15-9-16(11-21-17-5-6-17)20(22-19(15)10-18)23-8-2-3-14(12-23)13-24/h4,7,9-10,14,17,21,24H,2-3,5-6,8,11-13H2,1H3/p+2/t14-/m0/s1