3-azanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyrazine-2-carboxamide Openeye Name: 3-amino-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]pyrazine-2-carboxamide CAS Name: 3-amino-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-pyrazinecarboxamide IUPAC Name: 3-amino-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]pyrazine-2-carboxamide Traditional Name: 3-amino-N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]pyrazinamide Formula: C22H25N6O+ MolecularWeight: 389.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NC=CN=C4N

InChI

InChI=1S/C22H24N6O/c23-21-20(24-10-11-25-21)22(29)26-18-6-8-19(9-7-18)28-14-12-27(13-15-28)16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H2,23,25)(H,26,29)/p+1