2-methyl-N-(3-methylbutyl)-3-piperazin-4-ium-1-yl-benzamide

Systemtic Name: 2-methyl-N-(3-methylbutyl)-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N-isopentyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide CAS Name: 2-methyl-N-(3-methylbutyl)-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: 2-methyl-N-(3-methylbutyl)-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N-isoamyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N2CC[NH2+]CC2)C(=O)NCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1N2CC[NH2+]CC2)C(=O)NCCC(C)C

InChI

InChI=1S/C17H27N3O/c1-13(2)7-8-19-17(21)15-5-4-6-16(14(15)3)20-11-9-18-10-12-20/h4-6,13,18H,7-12H2,1-3H3,(H,19,21)/p+1