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

Systemtic Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-methyl-indole Openeye Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-methyl-indole CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-methylindole IUPAC Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-methylindole Traditional Name: 3-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1-methyl-indole Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H25N3O/c1-22-15-17(18-7-3-4-8-19(18)22)16-23-11-13-24(14-12-23)20-9-5-6-10-21(20)25-2/h3-10,15H,11-14,16H2,1-2H3/p+1