3-[(6-chloranyl-3-methoxy-5-methyl-1-oxidanidyl-pyrazin-1-ium-2-yl)methyl]-1-ethyl-7-(3-methylbut-2-enyl)-2,3-dihydroindole

Systemtic Name: 3-[(6-chloranyl-3-methoxy-5-methyl-1-oxidanidyl-pyrazin-1-ium-2-yl)methyl]-1-ethyl-7-(3-methylbut-2-enyl)-2,3-dihydroindole Openeye Name: 3-[(6-chloro-3-methoxy-5-methyl-1-oxido-pyrazin-1-ium-2-yl)methyl]-1-ethyl-7-(3-methylbut-2-enyl)indoline CAS Name: 3-[(6-chloro-3-methoxy-5-methyl-1-oxido-2-pyrazin-1-iumyl)methyl]-1-ethyl-7-(3-methylbut-2-enyl)-2,3-dihydroindole IUPAC Name: 3-[(6-chloro-3-methoxy-5-methyl-1-oxidopyrazin-1-ium-2-yl)methyl]-1-ethyl-7-(3-methylbut-2-enyl)-2,3-dihydroindole Traditional Name: 3-[(6-chloro-3-methoxy-5-methyl-1-oxido-pyrazin-1-ium-2-yl)methyl]-1-ethyl-7-(3-methylbut-2-enyl)indoline Formula: C22H28ClN3O2 MolecularWeight: 401.92962

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(C2=C1C(=CC=C2)CC=C(C)C)CC3=[N+](C(=C(N=C3OC)C)Cl)[O-]

Isomeric SMILES

CCN1CC(C2=C1C(=CC=C2)CC=C(C)C)CC3=[N+](C(=C(N=C3OC)C)Cl)[O-]

InChI

InChI=1S/C22H28ClN3O2/c1-6-25-13-17(12-19-22(28-5)24-15(4)21(23)26(19)27)18-9-7-8-16(20(18)25)11-10-14(2)3/h7-10,17H,6,11-13H2,1-5H3