3-[[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Formula: C25H34N4O+2 MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H32N4O/c1-30-25-9-5-4-8-24(25)29-16-14-28(15-17-29)21-10-12-27(13-11-21)19-20-18-26-23-7-3-2-6-22(20)23/h2-9,18,21,26H,10-17,19H2,1H3/p+2