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

Systemtic Name: N-[(2S)-butan-2-yl]-3-methyl-4-piperazin-4-ium-1-yl-benzamide Openeye Name: 3-methyl-N-[(1S)-1-methylpropyl]-4-piperazin-4-ium-1-yl-benzamide CAS Name: N-[(2S)-butan-2-yl]-3-methyl-4-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-[(2S)-butan-2-yl]-3-methyl-4-piperazin-4-ium-1-ylbenzamide Traditional Name: 3-methyl-N-[(1S)-1-methylpropyl]-4-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=CC(=C(C=C1)N2CC[NH2+]CC2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-4-13(3)18-16(20)14-5-6-15(12(2)11-14)19-9-7-17-8-10-19/h5-6,11,13,17H,4,7-10H2,1-3H3,(H,18,20)/p+1/t13-/m0/s1