N-cyclopropyl-2-[4-[3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[3-[4-(4-methoxyphenyl)-3-oxo-quinoxalin-2-yl]propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[3-[4-(4-methoxyphenyl)-3-oxo-2-quinoxalinyl]-1-oxopropyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[3-[3-keto-4-(4-methoxyphenyl)quinoxalin-2-yl]propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C27H32N5O4+ MolecularWeight: 490.57408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N4CC[NH+](CC4)CC(=O)NC5CC5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N4CC[NH+](CC4)CC(=O)NC5CC5

InChI

InChI=1S/C27H31N5O4/c1-36-21-10-8-20(9-11-21)32-24-5-3-2-4-22(24)29-23(27(32)35)12-13-26(34)31-16-14-30(15-17-31)18-25(33)28-19-6-7-19/h2-5,8-11,19H,6-7,12-18H2,1H3,(H,28,33)/p+1