N-(4-butylphenyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-butylphenyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-butylphenyl)acetamide Formula: C29H36N3O+ MolecularWeight: 442.61564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H35N3O/c1-2-3-10-24-15-17-27(18-16-24)30-28(33)23-31-19-21-32(22-20-31)29(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-18,29H,2-3,10,19-23H2,1H3,(H,30,33)/p+1