3-[(3-methoxy-5,6-dimethyl-4-oxidanidyl-pyrazin-4-ium-2-yl)methyl]-1H-indole

Systemtic Name: 3-[(3-methoxy-5,6-dimethyl-4-oxidanidyl-pyrazin-4-ium-2-yl)methyl]-1H-indole Openeye Name: 3-[(3-methoxy-5,6-dimethyl-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole CAS Name: 3-[(3-methoxy-5,6-dimethyl-4-oxido-2-pyrazin-4-iumyl)methyl]-1H-indole IUPAC Name: 3-[(3-methoxy-5,6-dimethyl-4-oxidopyrazin-4-ium-2-yl)methyl]-1H-indole Traditional Name: 3-[(3-methoxy-5,6-dimethyl-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(C(=N1)CC2=CNC3=CC=CC=C32)OC)[O-])C

Isomeric SMILES

CC1=C([N+](=C(C(=N1)CC2=CNC3=CC=CC=C32)OC)[O-])C

InChI

InChI=1S/C16H17N3O2/c1-10-11(2)19(20)16(21-3)15(18-10)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9,17H,8H2,1-3H3