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

Systemtic Name: 5-methoxy-6-[(5-methyl-1H-indol-3-yl)methyl]-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 3-isobutyl-5-methoxy-6-[(5-methyl-1H-indol-3-yl)methyl]-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-methoxy-6-[(5-methyl-1H-indol-3-yl)methyl]-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 5-methoxy-6-[(5-methyl-1H-indol-3-yl)methyl]-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-isobutyl-5-methoxy-6-[(5-methyl-1H-indol-3-yl)methyl]-4-oxido-1H-pyrazin-4-ium-2-one Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CC3=C([N+](=C(C(=O)N3)CC(C)C)[O-])OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CC3=C([N+](=C(C(=O)N3)CC(C)C)[O-])OC

InChI

InChI=1S/C19H23N3O3/c1-11(2)7-17-18(23)21-16(19(25-4)22(17)24)9-13-10-20-15-6-5-12(3)8-14(13)15/h5-6,8,10-11,20H,7,9H2,1-4H3,(H,21,23)