1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazinyl]-2-(4-phenethyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazino]-2-(4-phenethylpiperazin-1-ium-1-yl)ethanone Formula: C28H41N4O3+ MolecularWeight: 481.65014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C28H40N4O3/c1-23-19-26(34-2)27(35-3)20-25(23)21-30-15-17-32(18-16-30)28(33)22-31-13-11-29(12-14-31)10-9-24-7-5-4-6-8-24/h4-8,19-20H,9-18,21-22H2,1-3H3/p+1