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

Systemtic Name: N-butyl-5-methyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]pyrazine-2-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-butyl-5-methyl-pyrazine-2-carboxamide CAS Name: N-butyl-5-methyl-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-butyl-5-methylpyrazine-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-butyl-5-methyl-pyrazinamide Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2/c1-3-4-11-29(24(31)22-18-25-20(2)17-26-22)12-10-23(30)28-15-13-27(14-16-28)19-21-8-6-5-7-9-21/h5-9,17-18H,3-4,10-16,19H2,1-2H3/p+1