[4-(diphenylmethyl)piperazin-1-yl]-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-1-yl]-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-benzhydrylpiperazin-1-yl)-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazinyl]-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-1-yl)-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzhydrylpiperazino)-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]methanone Formula: C32H40N3O2+ MolecularWeight: 498.6789

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H39N3O2/c1-2-37-30-15-13-26(14-16-30)25-33-19-17-29(18-20-33)32(36)35-23-21-34(22-24-35)31(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-16,29,31H,2,17-25H2,1H3/p+1