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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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