2-[3-[[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]indol-1-yl]ethanamide

Systemtic Name: 2-[3-[[(3S)-3-(3,4-dimethoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]indol-1-yl]ethanamide Openeye Name: 2-[3-[[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide CAS Name: 2-[3-[[(3S)-3-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-1-indolyl]acetamide IUPAC Name: 2-[3-[[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide Traditional Name: 2-[3-[[(3S)-3-veratroylpiperidin-1-ium-1-yl]methyl]indol-1-yl]acetamide Formula: C25H30N3O4+ MolecularWeight: 436.5234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)CC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CN(C4=CC=CC=C43)CC(=O)N)OC

InChI

InChI=1S/C25H29N3O4/c1-31-22-10-9-17(12-23(22)32-2)25(30)18-6-5-11-27(13-18)14-19-15-28(16-24(26)29)21-8-4-3-7-20(19)21/h3-4,7-10,12,15,18H,5-6,11,13-14,16H2,1-2H3,(H2,26,29)/p+1/t18-/m0/s1