(3R)-N-butyl-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carboxamide

Systemtic Name: (3R)-N-butyl-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carboxamide Openeye Name: (3R)-N-butyl-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carboxamide CAS Name: (3R)-N-butyl-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinecarboxamide IUPAC Name: (3R)-N-butyl-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carboxamide Traditional Name: (3R)-N-butyl-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidine-1-carboxamide Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCC(C1)C2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CCCCNC(=O)N1CC[C@@H](C1)C2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C20H32N4O/c1-2-3-10-22-20(25)24-13-8-19(16-24)18-6-11-23(12-7-18)15-17-5-4-9-21-14-17/h4-5,9,14,18-19H,2-3,6-8,10-13,15-16H2,1H3,(H,22,25)/p+1/t19-/m0/s1