1-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone CAS Name: 1-(5-methoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O2/c1-27-19-7-8-22-20(14-19)21(15-24-22)23(26)16-25-11-9-18(10-12-25)13-17-5-3-2-4-6-17/h2-8,14-15,18,24H,9-13,16H2,1H3/p+1