2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]-1-piperazin-4-iumyl]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[4-[1-(3-chlorophenyl)-4-imidazolin-2-ylidene]piperazin-4-ium-1-yl]-1-(4-methylpiperidino)ethanone Formula: C21H29ClN5O+ MolecularWeight: 402.94086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CN2CC[N+](=C3NC=CN3C4=CC(=CC=C4)Cl)CC2

Isomeric SMILES

CC1CCN(CC1)C(=O)CN2CC[N+](=C3NC=CN3C4=CC(=CC=C4)Cl)CC2

InChI

InChI=1S/C21H28ClN5O/c1-17-5-8-25(9-6-17)20(28)16-24-11-13-26(14-12-24)21-23-7-10-27(21)19-4-2-3-18(22)15-19/h2-4,7,10,15,17H,5-6,8-9,11-14,16H2,1H3/p+1