1-(4-ethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazin-4-ium

Systemtic Name: 1-(4-ethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazin-4-ium Openeye Name: 1-(4-ethoxyphenyl)sulfonyl-4-isopentyl-piperazin-4-ium CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazin-4-ium IUPAC Name: 1-(4-ethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazin-4-ium Traditional Name: 1-isoamyl-4-p-phenetylsulfonyl-piperazin-1-ium Formula: C17H29N2O3S+ MolecularWeight: 341.48876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O3S/c1-4-22-16-5-7-17(8-6-16)23(20,21)19-13-11-18(12-14-19)10-9-15(2)3/h5-8,15H,4,9-14H2,1-3H3/p+1