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

Systemtic Name: 2-methyl-N-(2-methylpropyl)-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N-isobutyl-2-methyl-3-piperazin-4-ium-1-yl-benzamide CAS Name: 2-methyl-N-(2-methylpropyl)-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: 2-methyl-N-(2-methylpropyl)-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N-isobutyl-2-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=CC=C1N2CC[NH2+]CC2)C(=O)NCC(C)C

Isomeric SMILES

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

InChI

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