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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O/c1-15(2)9-10-20-18(22)8-5-16-3-6-17(7-4-16)21-13-11-19-12-14-21/h3-4,6-7,15,19H,5,8-14H2,1-2H3,(H,20,22)/p+1