(3,4-dimethoxyphenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-(6-quinolylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-(6-quinolinylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(6-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=CC4=C(C=C3)N=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)N=CC=C4)OC

InChI

InChI=1S/C24H26N2O3/c1-28-22-10-8-19(14-23(22)29-2)24(27)20-6-4-12-26(16-20)15-17-7-9-21-18(13-17)5-3-11-25-21/h3,5,7-11,13-14,20H,4,6,12,15-16H2,1-2H3/p+1/t20-/m0/s1