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

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-furan-3-carboxamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-methyl-furan-3-carboxamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-2-methyl-3-furancarboxamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-2-methylfuran-3-carboxamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-2-methyl-3-furamide Formula: C18H22ClN2O2+ MolecularWeight: 333.83248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O2/c1-13-17(8-10-23-13)18(22)20-16-3-2-9-21(12-16)11-14-4-6-15(19)7-5-14/h4-8,10,16H,2-3,9,11-12H2,1H3,(H,20,22)/p+1/t16-/m0/s1