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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC1=CC=CC=C1N2CC[NH2+]CC2

Isomeric SMILES

CCCCNC(=O)CCC1=CC=CC=C1N2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O/c1-2-3-10-19-17(21)9-8-15-6-4-5-7-16(15)20-13-11-18-12-14-20/h4-7,18H,2-3,8-14H2,1H3,(H,19,21)/p+1