(3,4-dimethoxyphenyl)-[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-(2-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-(quinolin-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(2-quinolylmethyl)piperidin-1-ium-3-yl]methanone Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=NC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=NC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C24H26N2O3/c1-28-22-12-10-18(14-23(22)29-2)24(27)19-7-5-13-26(15-19)16-20-11-9-17-6-3-4-8-21(17)25-20/h3-4,6,8-12,14,19H,5,7,13,15-16H2,1-2H3/p+1/t19-/m0/s1