(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-propanamide

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-propanamide Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-propanamide CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(1-cyanocyclohexyl)-N-methylpropanamide IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methylpropanamide Traditional Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-propionamide Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H29ClN4O/c1-17(20(27)24(2)21(16-23)9-4-3-5-10-21)25-11-13-26(14-12-25)19-8-6-7-18(22)15-19/h6-8,15,17H,3-5,9-14H2,1-2H3/p+1/t17-/m1/s1