3-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(2,3,4-trimethoxybenzyl)piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C23H29N3O3/c1-27-21-9-8-17(22(28-2)23(21)29-3)15-25-10-12-26(13-11-25)16-18-14-24-20-7-5-4-6-19(18)20/h4-9,14,24H,10-13,15-16H2,1-3H3/p+1