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

Systemtic Name: N-[(2S)-butan-2-yl]-3-piperazin-4-ium-1-yl-benzamide Openeye Name: N-[(1S)-1-methylpropyl]-3-piperazin-4-ium-1-yl-benzamide CAS Name: N-[(2S)-butan-2-yl]-3-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-[(2S)-butan-2-yl]-3-piperazin-4-ium-1-ylbenzamide Traditional Name: N-[(1S)-1-methylpropyl]-3-piperazin-4-ium-1-yl-benzamide Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O/c1-3-12(2)17-15(19)13-5-4-6-14(11-13)18-9-7-16-8-10-18/h4-6,11-12,16H,3,7-10H2,1-2H3,(H,17,19)/p+1/t12-/m0/s1