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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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