1-methyl-4-(3-methyl-4-pentoxy-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(3-methyl-4-pentoxy-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(3-methyl-4-pentoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-(3-methyl-4-pentoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(3-methyl-4-pentoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-amoxy-3-methyl-phenyl)sulfonyl-4-methyl-piperazin-4-ium Formula: C17H29N2O3S+ MolecularWeight: 341.48876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C17H28N2O3S/c1-4-5-6-13-22-17-8-7-16(14-15(17)2)23(20,21)19-11-9-18(3)10-12-19/h7-8,14H,4-6,9-13H2,1-3H3/p+1