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

Systemtic Name: 6-[(5-chloranyl-1H-indol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 6-[(5-chloro-1H-indol-3-yl)methyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 6-[(5-chloro-1H-indol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 6-[(5-chloro-1H-indol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 6-[(5-chloro-1H-indol-3-yl)methyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CNC3=C2C=C(C=C3)Cl)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CNC3=C2C=C(C=C3)Cl)OC)[O-]

InChI

InChI=1S/C18H20ClN3O3/c1-10(2)6-16-17(23)21-15(18(25-3)22(16)24)7-11-9-20-14-5-4-12(19)8-13(11)14/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,23)