(Z)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (Z)-3-(2-morpholinoquinolin-1-ium-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: (Z)-3-[2-(4-morpholinyl)-3-quinolin-1-iumyl]-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (Z)-3-(2-morpholin-4-ylquinolin-1-ium-3-yl)-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (Z)-3-(2-morpholinoquinolin-1-ium-3-yl)-2-(4-nitrophenyl)acrylonitrile Formula: C22H19N4O3+ MolecularWeight: 387.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2C=C(C#N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=[NH+]C3=CC=CC=C3C=C2/C=C(\C#N)/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3/c23-15-19(16-5-7-20(8-6-16)26(27)28)14-18-13-17-3-1-2-4-21(17)24-22(18)25-9-11-29-12-10-25/h1-8,13-14H,9-12H2/p+1/b19-14+