(2R)-N-(3-cyanophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C19H23N5O+2 MolecularWeight: 337.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H21N5O/c1-15(19(25)22-17-6-4-5-16(13-17)14-20)23-9-11-24(12-10-23)18-7-2-3-8-21-18/h2-8,13,15H,9-12H2,1H3,(H,22,25)/p+2/t15-/m1/s1