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

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Traditional Name: 9-keto-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C5=CC=CS5

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3)C5=CC=CS5

InChI

InChI=1S/C24H28N4O2S/c1-16-8-11-27(12-9-16)20(21-4-3-13-31-21)15-25-23(29)17-6-7-18-19(14-17)26-22-5-2-10-28(22)24(18)30/h3-4,6-7,13-14,16,20H,2,5,8-12,15H2,1H3,(H,25,29)/p+1/t20-/m1/s1