(2,3-dimethoxyphenyl)-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-yl]methanone

Systemtic Name: (2,3-dimethoxyphenyl)-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone CAS Name: (2,3-dimethoxyphenyl)-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone Traditional Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazino]-(2,3-dimethoxyphenyl)methanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3/c1-30-23-10-6-9-22(24(23)31-2)25(29)28-17-15-27(16-18-28)21-11-13-26(14-12-21)19-20-7-4-3-5-8-20/h3-10,21H,11-19H2,1-2H3/p+1