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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N5O2/c1-20(2)8-12-29(24(31)22-18-25-10-11-26-22)13-9-23(30)28-16-14-27(15-17-28)19-21-6-4-3-5-7-21/h3-7,10-11,18,20H,8-9,12-17,19H2,1-2H3/p+1