(3,5-dimethoxyphenyl)-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-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]-(3,5-dimethoxyphenyl)methanone CAS Name: (3,5-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]-(3,5-dimethoxyphenyl)methanone Traditional Name: [4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Formula: C25H35N3O3+2 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

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