3-[[4-[(4-ethylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(4-ethylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(4-ethylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(4-ethylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(4-ethylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-(4-ethylbenzyl)piperazine-1,4-diium-1-yl]methyl]-1H-indole Formula: C22H29N3+2 MolecularWeight: 335.48576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H27N3/c1-2-18-7-9-19(10-8-18)16-24-11-13-25(14-12-24)17-20-15-23-22-6-4-3-5-21(20)22/h3-10,15,23H,2,11-14,16-17H2,1H3/p+2