1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-imidazol-1-yl-ethanone

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-imidazol-1-yl-ethanone Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-imidazol-1-yl-ethanone CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(1-imidazolyl)ethanone IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-imidazol-1-ylethanone Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-2-imidazol-1-yl-ethanone Formula: C20H27ClN5O+ MolecularWeight: 388.91428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C=CN=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2C=CN=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H26ClN5O/c21-17-3-1-4-18(13-17)24-9-11-25(12-10-24)19-5-2-7-26(14-19)20(27)15-23-8-6-22-16-23/h1,3-4,6,8,13,16,19H,2,5,7,9-12,14-15H2/p+1/t19-/m0/s1