(4-methoxyphenyl)-[6-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3H-indol-1-ium-1-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[6-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3H-indol-1-ium-1-yl]methanone Openeye Name: [6-(4-benzylpiperidine-1-carbonyl)-3H-indol-1-ium-1-yl]-(4-methoxyphenyl)methanone CAS Name: (4-methoxyphenyl)-[6-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3H-indol-1-ium-1-yl]methanone IUPAC Name: [6-(4-benzylpiperidine-1-carbonyl)-3H-indol-1-ium-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [6-(4-benzylpiperidine-1-carbonyl)-3H-indol-1-ium-1-yl]-(4-methoxyphenyl)methanone Formula: C29H29N2O3+ MolecularWeight: 453.55216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)[N+]2=CCC3=C2C=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[N+]2=CCC3=C2C=C(C=C3)C(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N2O3/c1-34-26-11-9-24(10-12-26)29(33)31-18-15-23-7-8-25(20-27(23)31)28(32)30-16-13-22(14-17-30)19-21-5-3-2-4-6-21/h2-12,18,20,22H,13-17,19H2,1H3/q+1