8,9-dimethoxy-11-thiophen-2-yl-6,11,12,14a-tetrahydroquinazolino[3,2-c][2,3]benzodiazepin-13-ium-14-one

Systemtic Name: 8,9-dimethoxy-11-thiophen-2-yl-6,11,12,14a-tetrahydroquinazolino[3,2-c][2,3]benzodiazepin-13-ium-14-one Openeye Name: 8,9-dimethoxy-11-(2-thienyl)-6,11,12,14a-tetrahydroquinazolino[3,2-c][2,3]benzodiazepin-13-ium-14-one CAS Name: 8,9-dimethoxy-11-thiophen-2-yl-6,11,12,14a-tetrahydroquinazolino[3,2-c][2,3]benzodiazepin-13-ium-14-one IUPAC Name: 8,9-dimethoxy-11-thiophen-2-yl-6,11,12,14a-tetrahydroquinazolino[3,2-c][2,3]benzodiazepin-13-ium-14-one Traditional Name: 8,9-dimethoxy-11-(2-thienyl)-6,11,12,14a-tetrahydroquinazolino[3,2-c][2,3]benzodiazepin-13-ium-14-one Formula: C22H20N3O3S+ MolecularWeight: 406.4775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N[N+]3=C(CC2=C1)N=C4C=CC=CC4C3=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N[N+]3=C(CC2=C1)N=C4C=CC=CC4C3=O)C5=CC=CS5)OC

InChI

InChI=1S/C22H20N3O3S/c1-27-17-10-13-11-20-23-16-7-4-3-6-14(16)22(26)25(20)24-21(19-8-5-9-29-19)15(13)12-18(17)28-2/h3-10,12,14,21,24H,11H2,1-2H3/q+1