(4R)-8,9-diethoxy-4-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: (4R)-8,9-diethoxy-4-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: (4R)-8,9-diethoxy-4-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: (4R)-8,9-diethoxy-4-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: (4R)-8,9-diethoxy-4-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: (4R)-8,9-diethoxy-4-(2-methoxyphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C[NH2+]C(C3=CC=CN32)C4=CC=CC=C4OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[NH2+][C@@H](C3=CC=CN32)C4=CC=CC=C4OC)OCC

InChI

InChI=1S/C23H26N2O3/c1-4-27-21-13-16-15-24-23(17-9-6-7-11-20(17)26-3)18-10-8-12-25(18)19(16)14-22(21)28-5-2/h6-14,23-24H,4-5,15H2,1-3H3/p+1/t23-/m1/s1