methyl 4-[[2-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium-8-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[2-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium-8-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[2-[(3S)-3-methyl-1-piperidyl]quinolin-1-ium-8-yl]oxymethyl]benzoate CAS Name: 4-[[2-[(3S)-3-methyl-1-piperidinyl]-8-quinolin-1-iumyl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3S)-3-methylpiperidin-1-yl]quinolin-1-ium-8-yl]oxymethyl]benzoate Traditional Name: 4-[[2-[(3S)-3-methylpiperidino]quinolin-1-ium-8-yl]oxymethyl]benzoic acid methyl ester Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=[NH+]C3=C(C=CC=C3OCC4=CC=C(C=C4)C(=O)OC)C=C2

Isomeric SMILES

C[C@H]1CCCN(C1)C2=[NH+]C3=C(C=CC=C3OCC4=CC=C(C=C4)C(=O)OC)C=C2

InChI

InChI=1S/C24H26N2O3/c1-17-5-4-14-26(15-17)22-13-12-19-6-3-7-21(23(19)25-22)29-16-18-8-10-20(11-9-18)24(27)28-2/h3,6-13,17H,4-5,14-16H2,1-2H3/p+1/t17-/m0/s1