(2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)propanamide CAS Name: (2R)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-[3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(3-morpholinosulfonylphenyl)propionamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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