N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

Systemtic Name: N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

InChI

InChI=1S/C20H25N5O3/c1-22-8-10-24(11-9-22)18(26)13-23(2)19(27)14-5-6-15-16(12-14)21-17-4-3-7-25(17)20(15)28/h5-6,12H,3-4,7-11,13H2,1-2H3/p+1