(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1-cyanocyclohexyl)-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1-cyanocyclohexyl)-N-methylpropanamide Traditional Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(1-cyanocyclohexyl)-N-methyl-propionamide Formula: C22H34N4O+2 MolecularWeight: 370.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O/c1-19(21(27)24(2)22(18-23)11-7-4-8-12-22)26-15-13-25(14-16-26)17-20-9-5-3-6-10-20/h3,5-6,9-10,19H,4,7-8,11-17H2,1-2H3/p+2/t19-/m1/s1