2-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]furan-3-carboxamide

Systemtic Name: 2-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]furan-3-carboxamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-furan-3-carboxamide CAS Name: 2-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-3-furancarboxamide IUPAC Name: 2-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]furan-3-carboxamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-2-methyl-3-furamide Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(C=CO1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C22H30N2O2/c1-16(2)13-18-6-8-19(9-7-18)14-24-11-4-5-20(15-24)23-22(25)21-10-12-26-17(21)3/h6-10,12,16,20H,4-5,11,13-15H2,1-3H3,(H,23,25)/p+1/t20-/m0/s1