3-azanyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]pyrazinamide Formula: C18H23N6O2+ MolecularWeight: 355.41422

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=NC=CN=C2N)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=NC=CN=C2N)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H22N6O2/c19-17-16(20-8-9-21-17)18(26)23-14-6-10-24(11-7-14)12-15(25)22-13-4-2-1-3-5-13/h1-5,8-9,14H,6-7,10-12H2,(H2,19,21)(H,22,25)(H,23,26)/p+1