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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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