2-chloranyl-N-methyl-5-piperazin-4-ium-1-yl-benzamide

Systemtic Name: 2-chloranyl-N-methyl-5-piperazin-4-ium-1-yl-benzamide Openeye Name: 2-chloro-N-methyl-5-piperazin-4-ium-1-yl-benzamide CAS Name: 2-chloro-N-methyl-5-(1-piperazin-4-iumyl)benzamide IUPAC Name: 2-chloro-N-methyl-5-piperazin-4-ium-1-ylbenzamide Traditional Name: 2-chloro-N-methyl-5-piperazin-4-ium-1-yl-benzamide Formula: C12H17ClN3O+ MolecularWeight: 254.73588

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C=CC(=C1)N2CC[NH2+]CC2)Cl

Isomeric SMILES

CNC(=O)C1=C(C=CC(=C1)N2CC[NH2+]CC2)Cl

InChI

InChI=1S/C12H16ClN3O/c1-14-12(17)10-8-9(2-3-11(10)13)16-6-4-15-5-7-16/h2-3,8,15H,4-7H2,1H3,(H,14,17)/p+1