(3S)-1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(2-furylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(2-furanylmethyl)-N-[4-(3-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-furfuryl)-N-[4-(3-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C24H27N2O3+ MolecularWeight: 391.48278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=CC=CO4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=CC=CO4

InChI

InChI=1S/C24H26N2O3/c1-28-22-7-2-5-19(15-22)18-9-11-21(12-10-18)25-24(27)20-6-3-13-26(16-20)17-23-8-4-14-29-23/h2,4-5,7-12,14-15,20H,3,6,13,16-17H2,1H3,(H,25,27)/p+1/t20-/m0/s1