(4R)-4-(3,4-dimethoxyphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium

Systemtic Name: (4R)-4-(3,4-dimethoxyphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: (4R)-4-(3,4-dimethoxyphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: (4R)-4-(3,4-dimethoxyphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: (4R)-4-(3,4-dimethoxyphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: (4R)-4-(3,4-dimethoxyphenyl)-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Formula: C24H29N2O4+ MolecularWeight: 409.49806

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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)OC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4/c1-5-29-22-13-17-15-25-24(16-9-10-20(27-3)21(12-16)28-4)18-8-7-11-26(18)19(17)14-23(22)30-6-2/h7-14,24-25H,5-6,15H2,1-4H3/p+1/t24-/m1/s1