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

Systemtic Name: 1-methyl-4-(3-methyl-4-propoxy-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(3-methyl-4-propoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-(3-methyl-4-propoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(3-methyl-4-propoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-(3-methyl-4-propoxy-phenyl)sulfonyl-piperazin-1-ium Formula: C15H25N2O3S+ MolecularWeight: 313.4356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O3S/c1-4-11-20-15-6-5-14(12-13(15)2)21(18,19)17-9-7-16(3)8-10-17/h5-6,12H,4,7-11H2,1-3H3/p+1