(2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2R)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H26N4O3S/c1-16(23-14-10-18(11-15-23)22(2)3)20(25)21-17-6-8-19(9-7-17)28(26,27)24-12-4-5-13-24/h6-11,14-16H,4-5,12-13H2,1-3H3/p+1/t16-/m1/s1