N-cyclopropyl-2-[4-[[4-[ethyl-(phenylmethyl)amino]phenyl]methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[[4-[ethyl-(phenylmethyl)amino]phenyl]methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[[4-[benzyl(ethyl)amino]phenyl]methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[[4-[ethyl-(phenylmethyl)amino]phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[[4-[benzyl(ethyl)amino]phenyl]methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[4-[benzyl(ethyl)amino]benzyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C25H35N4O+ MolecularWeight: 407.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)CN3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)CN3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C25H34N4O/c1-2-29(19-21-6-4-3-5-7-21)24-12-8-22(9-13-24)18-27-14-16-28(17-15-27)20-25(30)26-23-10-11-23/h3-9,12-13,23H,2,10-11,14-20H2,1H3,(H,26,30)/p+1