1-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-4-ium

Systemtic Name: 1-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-4-ium Openeye Name: 1-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-4-ium CAS Name: 1-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenyl]piperazin-4-ium IUPAC Name: 1-(2-methyl-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-4-ium Traditional Name: 1-(2-methyl-4-pyrrolidinosulfonyl-phenyl)piperazin-4-ium Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)N3CC[NH2+]CC3

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)N3CC[NH2+]CC3

InChI

InChI=1S/C15H23N3O2S/c1-13-12-14(21(19,20)18-8-2-3-9-18)4-5-15(13)17-10-6-16-7-11-17/h4-5,12,16H,2-3,6-11H2,1H3/p+1