(5-chloranyl-2-methoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-2-methoxy-phenyl)methanone CAS Name: (5-chloro-2-methoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-2-methoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-chloro-2-methoxy-phenyl)methanone Formula: C19H22ClN2O2+ MolecularWeight: 345.84318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O2/c1-24-18-8-7-16(20)13-17(18)19(23)22-11-9-21(10-12-22)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3/p+1