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

Systemtic Name: 2-chloranyl-3-[3-methyl-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]-1H-indole Openeye Name: 2-chloro-3-(5-isobutyl-3-methyl-4-oxido-pyrazin-4-ium-2-yl)-1H-indole CAS Name: 2-chloro-3-[3-methyl-5-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl]-1H-indole IUPAC Name: 2-chloro-3-[3-methyl-5-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl]-1H-indole Traditional Name: 2-chloro-3-(5-isobutyl-3-methyl-4-oxido-pyrazin-4-ium-2-yl)-1H-indole Formula: C17H18ClN3O MolecularWeight: 315.79732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN=C1C2=C(NC3=CC=CC=C32)Cl)CC(C)C)[O-]

Isomeric SMILES

CC1=[N+](C(=CN=C1C2=C(NC3=CC=CC=C32)Cl)CC(C)C)[O-]

InChI

InChI=1S/C17H18ClN3O/c1-10(2)8-12-9-19-16(11(3)21(12)22)15-13-6-4-5-7-14(13)20-17(15)18/h4-7,9-10,20H,8H2,1-3H3