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

Systemtic Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-morpholinosulfonylphenyl)propanamide CAS Name: (2R)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-morpholinosulfonylphenyl)propionamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H26N4O4S/c1-16(23-10-8-18(9-11-23)22(2)3)20(25)21-17-4-6-19(7-5-17)29(26,27)24-12-14-28-15-13-24/h4-11,16H,12-15H2,1-3H3/p+1/t16-/m1/s1