N-(3-chloranyl-4-methyl-phenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chloro-4-methyl-phenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chloro-4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chloro-4-methyl-phenyl)piperazin-4-ium-1-carboxamide Formula: C12H17ClN3O+ MolecularWeight: 254.73588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CC[NH2+]CC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CC[NH2+]CC2)Cl

InChI

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