N-[(2S)-butan-2-yl]-2-methyl-3-piperazin-4-ium-1-yl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C(=CC=C1)N2CC[NH2+]CC2)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(C(=CC=C1)N2CC[NH2+]CC2)C

InChI

InChI=1S/C16H25N3O/c1-4-12(2)18-16(20)14-6-5-7-15(13(14)3)19-10-8-17-9-11-19/h5-7,12,17H,4,8-11H2,1-3H3,(H,18,20)/p+1/t12-/m0/s1