methyl 3-[2-[4-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(1,3-dihydroisobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(1,3-dihydroisobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(1,3-dihydro-2-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[[2-[4-(phthalan-5-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C26H31N4O5+ MolecularWeight: 479.54814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(COC5)C=C4

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)CC4=CC5=C(COC5)C=C4

InChI

InChI=1S/C26H30N4O5/c1-33-21-5-3-4-20-23(21)24(25(27-20)26(32)34-2)28-22(31)14-30-10-8-29(9-11-30)13-17-6-7-18-15-35-16-19(18)12-17/h3-7,12,27H,8-11,13-16H2,1-2H3,(H,28,31)/p+1