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

Systemtic Name: N-cyclopropyl-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-cyclopropyl-pyrazine-2-carboxamide CAS Name: N-cyclopropyl-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-cyclopropylpyrazine-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-cyclopropyl-pyrazinamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=NC=CN=C4

Isomeric SMILES

C1CC1N(CCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C22H27N5O2/c28-21(26-14-12-25(13-15-26)17-18-4-2-1-3-5-18)8-11-27(19-6-7-19)22(29)20-16-23-9-10-24-20/h1-5,9-10,16,19H,6-8,11-15,17H2/p+1