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

Systemtic Name: N-pentyl-3-(3-piperazin-4-ium-1-ylphenyl)propanamide Openeye Name: N-pentyl-3-(3-piperazin-4-ium-1-ylphenyl)propanamide CAS Name: N-pentyl-3-[3-(1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: N-pentyl-3-(3-piperazin-4-ium-1-ylphenyl)propanamide Traditional Name: N-amyl-3-(3-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=C1)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-2-3-4-10-20-18(22)9-8-16-6-5-7-17(15-16)21-13-11-19-12-14-21/h5-7,15,19H,2-4,8-14H2,1H3,(H,20,22)/p+1