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

Systemtic Name: 5-methyl-N-(2-methylpropyl)-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-isobutyl-5-methyl-pyrazine-2-carboxamide CAS Name: 5-methyl-N-(2-methylpropyl)-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]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-isobutyl-5-methyl-pyrazinamide Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C24H33N5O2/c1-19(2)17-29(24(31)22-16-25-20(3)15-26-22)10-9-23(30)28-13-11-27(12-14-28)18-21-7-5-4-6-8-21/h4-8,15-16,19H,9-14,17-18H2,1-3H3/p+1