(phenylmethyl) 3-[6-methoxy-4-methylidene-2-(2-methylpropyl)-3-oxidanylidene-piperazin-4-ium-1-yl]indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[6-methoxy-4-methylidene-2-(2-methylpropyl)-3-oxidanylidene-piperazin-4-ium-1-yl]indole-1-carboxylate Openeye Name: benzyl 3-(2-isobutyl-6-methoxy-4-methylene-3-oxo-piperazin-4-ium-1-yl)indole-1-carboxylate CAS Name: 3-[6-methoxy-4-methylene-2-(2-methylpropyl)-3-oxo-1-piperazin-4-iumyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[6-methoxy-4-methylidene-2-(2-methylpropyl)-3-oxopiperazin-4-ium-1-yl]indole-1-carboxylate Traditional Name: 3-(2-isobutyl-3-keto-6-methoxy-4-methylene-piperazin-4-ium-1-yl)indole-1-carboxylic acid benzyl ester Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)[N+](=C)CC(N1C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)CC1C(=O)[N+](=C)CC(N1C2=CN(C3=CC=CC=C32)C(=O)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H30N3O4/c1-18(2)14-22-25(30)27(3)16-24(32-4)29(22)23-15-28(21-13-9-8-12-20(21)23)26(31)33-17-19-10-6-5-7-11-19/h5-13,15,18,22,24H,3,14,16-17H2,1-2,4H3/q+1