(3S)-N,N-diethyl-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-vanillyl-piperidin-1-ium-3-carboxamide Formula: C18H29N2O3+ MolecularWeight: 321.43446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C18H28N2O3/c1-4-20(5-2)18(22)15-7-6-10-19(13-15)12-14-8-9-16(21)17(11-14)23-3/h8-9,11,15,21H,4-7,10,12-13H2,1-3H3/p+1/t15-/m0/s1