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

Systemtic Name: N-(2-methoxyethyl)-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-(2-methoxyethyl)pyrazine-2-carboxamide CAS Name: N-(2-methoxyethyl)-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-(2-methoxyethyl)pyrazine-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-(2-methoxyethyl)pyrazinamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-30-16-15-27(22(29)20-17-23-8-9-24-20)10-7-21(28)26-13-11-25(12-14-26)18-19-5-3-2-4-6-19/h2-6,8-9,17H,7,10-16,18H2,1H3/p+1