N-[(phenylmethyl)carbamoyl]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(phenylmethyl)carbamoyl]-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(benzylcarbamoyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(benzylcarbamoyl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC(=O)NCC2=CC=CC=C2)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC(=O)NCC2=CC=CC=C2)C3=NC=CC=N3

InChI

InChI=1S/C19H24N6O2/c26-17(23-19(27)22-15-16-5-2-1-3-6-16)7-10-24-11-13-25(14-12-24)18-20-8-4-9-21-18/h1-6,8-9H,7,10-15H2,(H2,22,23,26,27)/p+1