1-(3,4-diethoxyphenyl)sulfonyl-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-isopropyl-piperazin-4-ium CAS Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-(3,4-diethoxyphenyl)sulfonyl-4-isopropyl-piperazin-4-ium Formula: C17H29N2O4S+ MolecularWeight: 357.48816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C)OCC

InChI

InChI=1S/C17H28N2O4S/c1-5-22-16-8-7-15(13-17(16)23-6-2)24(20,21)19-11-9-18(10-12-19)14(3)4/h7-8,13-14H,5-6,9-12H2,1-4H3/p+1