N-tert-butyl-2-chloranyl-5-piperazin-4-ium-1-yl-benzamide

Systemtic Name: N-tert-butyl-2-chloranyl-5-piperazin-4-ium-1-yl-benzamide Openeye Name: N-tert-butyl-2-chloro-5-piperazin-4-ium-1-yl-benzamide CAS Name: N-tert-butyl-2-chloro-5-(1-piperazin-4-iumyl)benzamide IUPAC Name: N-tert-butyl-2-chloro-5-piperazin-4-ium-1-ylbenzamide Traditional Name: N-tert-butyl-2-chloro-5-piperazin-4-ium-1-yl-benzamide Formula: C15H23ClN3O+ MolecularWeight: 296.81562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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