(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H29N4O3S2+ MolecularWeight: 425.58856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H28N4O3S2/c1-16(18(24)21(2)19(15-20)8-4-3-5-9-19)22-10-12-23(13-11-22)28(25,26)17-7-6-14-27-17/h6-7,14,16H,3-5,8-13H2,1-2H3/p+1/t16-/m1/s1