N-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isopentyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methylbutyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-isoamyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C18H30N3O+ MolecularWeight: 304.4503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCC(C)C

InChI

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