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

Systemtic Name: N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-N-propyl-pyrazine-2-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-propyl-pyrazine-2-carboxamide CAS Name: N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-N-propyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-propylpyrazine-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-propyl-pyrazinamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

CCCN(CCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H29N5O2/c1-2-11-27(22(29)20-17-23-9-10-24-20)12-8-21(28)26-15-13-25(14-16-26)18-19-6-4-3-5-7-19/h3-7,9-10,17H,2,8,11-16,18H2,1H3/p+1