N-[(2R)-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2R)-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1R)-2-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-methyl-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: N-[(2R)-1-oxo-1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]propan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(2R)-1-[(1-benzylpiperidin-1-ium-4-yl)amino]-1-oxopropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1R)-2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-1-methyl-ethyl]nicotinamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-16(23-21(27)18-8-5-11-22-14-18)20(26)24-19-9-12-25(13-10-19)15-17-6-3-2-4-7-17/h2-8,11,14,16,19H,9-10,12-13,15H2,1H3,(H,23,27)(H,24,26)/p+1/t16-/m1/s1