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

Systemtic Name: 4-methyl-N-(3-methylbutyl)-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N-isopentyl-4-methyl-3-piperazin-4-ium-1-yl-benzamide CAS Name: 4-methyl-N-(3-methylbutyl)-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: 4-methyl-N-(3-methylbutyl)-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N-isoamyl-4-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=C(C=C1)C(=O)NCCC(C)C)N2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCC(C)C)N2CC[NH2+]CC2

InChI

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