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

Systemtic Name: 1-(2-ethoxy-4-methyl-5-propan-2-yl-phenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonyl-piperazin-1-ium Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O3S/c1-5-28-22-15-19(4)21(18(2)3)16-23(22)29(26,27)25-13-11-24(12-14-25)17-20-9-7-6-8-10-20/h6-10,15-16,18H,5,11-14,17H2,1-4H3/p+1