1-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-methoxy-2-methyl-5-propan-2-yl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(5-isopropyl-4-methoxy-2-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(5-isopropyl-4-methoxy-2-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C(C)C)OC

InChI

InChI=1S/C22H30N2O3S/c1-17(2)20-15-22(18(3)14-21(20)27-4)28(25,26)24-12-10-23(11-13-24)16-19-8-6-5-7-9-19/h5-9,14-15,17H,10-13,16H2,1-4H3/p+1