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

Systemtic Name: 3-[[6-chloranyl-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methyl]-1H-indole Openeye Name: 3-[(6-chloro-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole CAS Name: 3-[[6-chloro-3-methoxy-5-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl]methyl]-1H-indole IUPAC Name: 3-[[6-chloro-3-methoxy-5-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl]methyl]-1H-indole Traditional Name: 3-[(6-chloro-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole Formula: C18H20ClN3O2 MolecularWeight: 345.8233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1Cl)CC2=CNC3=CC=CC=C32)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1Cl)CC2=CNC3=CC=CC=C32)OC)[O-]

InChI

InChI=1S/C18H20ClN3O2/c1-11(2)8-16-17(19)21-15(18(24-3)22(16)23)9-12-10-20-14-7-5-4-6-13(12)14/h4-7,10-11,20H,8-9H2,1-3H3