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

Systemtic Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-chlorophenyl)methanone Openeye Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-chlorophenyl)methanone CAS Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-piperidin-1-iumyl]-(3-chlorophenyl)methanone IUPAC Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-chlorophenyl)methanone Traditional Name: [(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]-(3-chlorophenyl)methanone Formula: C20H27ClN3O+ MolecularWeight: 360.90088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H26ClN3O/c1-2-3-9-19-22-12-18(23-19)14-24-10-5-7-16(13-24)20(25)15-6-4-8-17(21)11-15/h4,6,8,11-12,16H,2-3,5,7,9-10,13-14H2,1H3,(H,22,23)/p+1/t16-/m0/s1