N-(2-methylpropyl)-3-(3-piperazin-4-ium-1-ylphenyl)propanamide

Systemtic Name: N-(2-methylpropyl)-3-(3-piperazin-4-ium-1-ylphenyl)propanamide Openeye Name: N-isobutyl-3-(3-piperazin-4-ium-1-ylphenyl)propanamide CAS Name: N-(2-methylpropyl)-3-[3-(1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: N-(2-methylpropyl)-3-(3-piperazin-4-ium-1-ylphenyl)propanamide Traditional Name: N-isobutyl-3-(3-piperazin-4-ium-1-ylphenyl)propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CCC1=CC(=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)CNC(=O)CCC1=CC(=CC=C1)N2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O/c1-14(2)13-19-17(21)7-6-15-4-3-5-16(12-15)20-10-8-18-9-11-20/h3-5,12,14,18H,6-11,13H2,1-2H3,(H,19,21)/p+1