(3R)-1-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[4-[(4-methoxyanilino)-oxomethyl]phenyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[4-[(4-methoxyphenyl)carbamoyl]benzyl]piperidin-1-ium-3-carboxamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C21H25N3O3/c1-27-19-10-8-18(9-11-19)23-21(26)16-6-4-15(5-7-16)13-24-12-2-3-17(14-24)20(22)25/h4-11,17H,2-3,12-14H2,1H3,(H2,22,25)(H,23,26)/p+1/t17-/m1/s1