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

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-2-piperidin-1-ium-1-yl-ethanone Formula: C22H35ClN4O+2 MolecularWeight: 406.9925

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H33ClN4O/c23-19-6-4-7-20(16-19)25-12-14-26(15-13-25)21-8-5-11-27(17-21)22(28)18-24-9-2-1-3-10-24/h4,6-7,16,21H,1-3,5,8-15,17-18H2/p+2/t21-/m0/s1