3-[(3,4-dimethylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)C

InChI

InChI=1S/C23H31N3O3S/c1-18-5-10-22(15-19(18)2)30(28,29)25-12-11-23(27)24-16-20-6-8-21(9-7-20)17-26-13-3-4-14-26/h5-10,15,25H,3-4,11-14,16-17H2,1-2H3,(H,24,27)/p+1