1'-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]spiro[4,7-dihydro-1,3-dioxepine-2,3'-indole]-2'-one

Systemtic Name: 1'-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]spiro[4,7-dihydro-1,3-dioxepine-2,3'-indole]-2'-one Openeye Name: 1'-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]spiro[4,7-dihydro-1,3-dioxepine-2,3'-indoline]-2'-one CAS Name: 1'-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2'-spiro[4,7-dihydro-1,3-dioxepin-2,3'-indole]one IUPAC Name: 1'-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]spiro[4,7-dihydro-1,3-dioxepine-2,3'-indole]-2'-one Traditional Name: 1'-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]spiro[4,7-dihydro-1,3-dioxepin-2,3'-indoline]-2'-one Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4C5(C3=O)OCC=CCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4C5(C3=O)OCC=CCO5

InChI

InChI=1S/C24H27N3O4/c1-29-20-10-8-19(9-11-20)26-14-12-25(13-15-26)18-27-22-7-3-2-6-21(22)24(23(27)28)30-16-4-5-17-31-24/h2-11H,12-18H2,1H3/p+1