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

Systemtic Name: N-[(2S)-butan-2-yl]-2-chloranyl-4-piperazin-4-ium-1-yl-benzamide Openeye Name: 2-chloro-N-[(1S)-1-methylpropyl]-4-piperazin-4-ium-1-yl-benzamide CAS Name: N-[(2S)-butan-2-yl]-2-chloro-4-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-[(2S)-butan-2-yl]-2-chloro-4-piperazin-4-ium-1-ylbenzamide Traditional Name: 2-chloro-N-[(1S)-1-methylpropyl]-4-piperazin-4-ium-1-yl-benzamide Formula: C15H23ClN3O+ MolecularWeight: 296.81562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClN3O/c1-3-11(2)18-15(20)13-5-4-12(10-14(13)16)19-8-6-17-7-9-19/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,18,20)/p+1/t11-/m0/s1