N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-5-methyl-isoxazole-3-carboxamide Formula: C17H21ClN3O2+ MolecularWeight: 334.82054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NO1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O2/c1-12-9-16(20-23-12)17(22)19-15-3-2-8-21(11-15)10-13-4-6-14(18)7-5-13/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,22)/p+1/t15-/m0/s1