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

Systemtic Name: 5-methyl-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]-5-methyl-N-propyl-pyrazine-2-carboxamide CAS Name: 5-methyl-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]-5-methyl-N-propylpyrazine-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-5-methyl-N-propyl-pyrazinamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CCCN(CCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C23H31N5O2/c1-3-10-28(23(30)21-17-24-19(2)16-25-21)11-9-22(29)27-14-12-26(13-15-27)18-20-7-5-4-6-8-20/h4-8,16-17H,3,9-15,18H2,1-2H3/p+1