(2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2R)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-piperidinophenyl)propionamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H28N4O/c1-17(24-15-11-19(12-16-24)23(2)3)21(26)22-18-7-9-20(10-8-18)25-13-5-4-6-14-25/h7-12,15-17H,4-6,13-14H2,1-3H3/p+1/t17-/m1/s1