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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CNC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C23H26N2O3/c1-27-18-9-10-20(22(12-18)28-2)23(26)16-6-5-11-25(14-16)15-17-13-24-21-8-4-3-7-19(17)21/h3-4,7-10,12-13,16,24H,5-6,11,14-15H2,1-2H3/p+1/t16-/m0/s1