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

Systemtic Name: 5-[(4R)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxy-phenol Openeye Name: 5-[(4R)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxy-phenol CAS Name: 5-[(4R)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxyphenol IUPAC Name: 5-[(4R)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxyphenol Traditional Name: 5-[(4R)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium-4-yl]-2-methoxy-phenol Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-4-28-21-12-16-14-24-23(15-8-9-20(27-3)19(26)11-15)17-7-6-10-25(17)18(16)13-22(21)29-5-2/h6-13,23-24,26H,4-5,14H2,1-3H3/p+1/t23-/m1/s1