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

Systemtic Name: N-pentyl-3-(2-piperazin-4-ium-1-ylphenyl)propanamide Openeye Name: N-pentyl-3-(2-piperazin-4-ium-1-ylphenyl)propanamide CAS Name: N-pentyl-3-[2-(1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: N-pentyl-3-(2-piperazin-4-ium-1-ylphenyl)propanamide Traditional Name: N-amyl-3-(2-piperazin-4-ium-1-ylphenyl)propionamide Formula: C18H30N3O+ MolecularWeight: 304.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-2-3-6-11-20-18(22)10-9-16-7-4-5-8-17(16)21-14-12-19-13-15-21/h4-5,7-8,19H,2-3,6,9-15H2,1H3,(H,20,22)/p+1