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

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-indol-2-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=CC=CC=C4N3)OC

InChI

InChI=1S/C23H26N2O3/c1-27-21-10-9-17(13-22(21)28-2)23(26)18-7-5-11-25(14-18)15-19-12-16-6-3-4-8-20(16)24-19/h3-4,6,8-10,12-13,18,24H,5,7,11,14-15H2,1-2H3/p+1/t18-/m0/s1