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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2C

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2C

InChI

InChI=1S/C18H29N3O/c1-4-16(5-2)19-18(22)14-20-10-12-21(13-11-20)17-9-7-6-8-15(17)3/h6-9,16H,4-5,10-14H2,1-3H3,(H,19,22)/p+1