(2-azanyl-5-chloranyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (2-azanyl-5-chloranyl-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (2-amino-5-chloro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (2-amino-5-chlorophenyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (2-amino-5-chlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (2-amino-5-chloro-phenyl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C12H17ClN3O+ MolecularWeight: 254.73588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)N

InChI

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