3-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(3-ethoxy-4-methoxy-benzyl)piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+](CC2)CC3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C23H29N3O2/c1-3-28-23-14-18(8-9-22(23)27-2)16-25-10-12-26(13-11-25)17-19-15-24-21-7-5-4-6-20(19)21/h4-9,14-15,24H,3,10-13,16-17H2,1-2H3/p+1