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

Systemtic Name: (4R)-4-cyclohexyl-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Openeye Name: (4R)-4-cyclohexyl-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium CAS Name: (4R)-4-cyclohexyl-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium IUPAC Name: (4R)-4-cyclohexyl-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Traditional Name: (4R)-4-cyclohexyl-8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5-ium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C[NH2+]C(C3=CC=CN32)C4CCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[NH2+][C@@H](C3=CC=CN32)C4CCCCC4)OCC

InChI

InChI=1S/C22H30N2O2/c1-3-25-20-13-17-15-23-22(16-9-6-5-7-10-16)18-11-8-12-24(18)19(17)14-21(20)26-4-2/h8,11-14,16,22-23H,3-7,9-10,15H2,1-2H3/p+1/t22-/m1/s1