N-[2-(3-methoxyphenyl)phenyl]-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(3S)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(3S)-3-(5-methyl-2-furanyl)butyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(3S)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(3-methoxyphenyl)phenyl]-1-[(3S)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-carboxamide Formula: C28H35N2O3+ MolecularWeight: 447.5891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)CC[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(O1)[C@@H](C)CC[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H34N2O3/c1-20(27-12-11-21(2)33-27)13-16-30-17-14-22(15-18-30)28(31)29-26-10-5-4-9-25(26)23-7-6-8-24(19-23)32-3/h4-12,19-20,22H,13-18H2,1-3H3,(H,29,31)/p+1/t20-/m0/s1