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

Systemtic Name: (2,3-dimethoxyphenyl)-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone CAS Name: (2,3-dimethoxyphenyl)-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone Traditional Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone Formula: C25H35N3O3+2 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](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+2