1-(3-chloranyl-6-methoxy-2,4-dimethyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-6-methoxy-2,4-dimethyl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(3-chloro-6-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(3-chloro-6-methoxy-2,4-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(3-chloro-6-methoxy-2,4-dimethyl-phenyl)sulfonyl-piperazin-1-ium Formula: C20H26ClN2O3S+ MolecularWeight: 409.95004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H25ClN2O3S/c1-15-13-18(26-3)20(16(2)19(15)21)27(24,25)23-11-9-22(10-12-23)14-17-7-5-4-6-8-17/h4-8,13H,9-12,14H2,1-3H3/p+1