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

Systemtic Name: (4-chlorophenyl)-[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C17H21ClN3O+ MolecularWeight: 318.82114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H20ClN3O/c1-12-19-9-16(20-12)11-21-8-2-3-14(10-21)17(22)13-4-6-15(18)7-5-13/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,19,20)/p+1/t14-/m0/s1