(3R)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Traditional Name: (3R)-5-keto-1-(2-methoxy-5-methyl-phenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]pyrrolidine-3-carboxamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@@H](CC2=O)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C26H33N3O3/c1-19-6-11-24(32-2)23(14-19)29-18-22(15-25(29)30)26(31)27-16-20-7-9-21(10-8-20)17-28-12-4-3-5-13-28/h6-11,14,22H,3-5,12-13,15-18H2,1-2H3,(H,27,31)/p+1/t22-/m1/s1