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

Systemtic Name: 4-methyl-N-(2-methylpropyl)-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N-isobutyl-4-methyl-3-piperazin-4-ium-1-yl-benzamide CAS Name: 4-methyl-N-(2-methylpropyl)-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: 4-methyl-N-(2-methylpropyl)-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N-isobutyl-4-methyl-3-piperazin-4-ium-1-yl-benzamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-12(2)11-18-16(20)14-5-4-13(3)15(10-14)19-8-6-17-7-9-19/h4-5,10,12,17H,6-9,11H2,1-3H3,(H,18,20)/p+1