(3-chlorophenyl)-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-chlorophenyl)-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-chlorophenyl)-[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-chlorophenyl)-[(3S)-1-[(5-methyl-2-furanyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-chlorophenyl)-[(3S)-1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-yl]methanone Formula: C18H21ClNO2+ MolecularWeight: 318.81784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H20ClNO2/c1-13-7-8-17(22-13)12-20-9-3-5-15(11-20)18(21)14-4-2-6-16(19)10-14/h2,4,6-8,10,15H,3,5,9,11-12H2,1H3/p+1/t15-/m0/s1