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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-methylpropanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-methyl-propionamide Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)N(C)C3(CCCCC3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)N(C)C3(CCCCC3)C#N)C

InChI

InChI=1S/C23H34N4O/c1-18-9-8-10-21(19(18)2)27-15-13-26(14-16-27)20(3)22(28)25(4)23(17-24)11-6-5-7-12-23/h8-10,20H,5-7,11-16H2,1-4H3/p+1/t20-/m1/s1