3-[2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 3-[2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 3-[[2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 3-[[2-[4-(4-cyano-2-pyridinyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 3-[[2-[4-(4-cyanopyridin-2-yl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 3-[[2-[4-(4-cyano-2-pyridyl)piperazin-1-ium-1-yl]acetyl]amino]-N-cyclopropyl-benzamide Formula: C22H25N6O2+ MolecularWeight: 405.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C22H24N6O2/c23-14-16-6-7-24-20(12-16)28-10-8-27(9-11-28)15-21(29)25-19-3-1-2-17(13-19)22(30)26-18-4-5-18/h1-3,6-7,12-13,18H,4-5,8-11,15H2,(H,25,29)(H,26,30)/p+1