1-methyl-4-(3-propan-2-yl-4-propoxy-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(3-propan-2-yl-4-propoxy-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(3-isopropyl-4-propoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-(3-propan-2-yl-4-propoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(3-propan-2-yl-4-propoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-isopropyl-4-propoxy-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C17H29N2O3S+ MolecularWeight: 341.48876

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)C(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)C(C)C

InChI

InChI=1S/C17H28N2O3S/c1-5-12-22-17-7-6-15(13-16(17)14(2)3)23(20,21)19-10-8-18(4)9-11-19/h6-7,13-14H,5,8-12H2,1-4H3/p+1