4-(4-bromophenyl)-1,6-dimethyl-1-(1-piperazin-1-ylethyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-1-ium

Systemtic Name: 4-(4-bromophenyl)-1,6-dimethyl-1-(1-piperazin-1-ylethyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-1-ium Openeye Name: 4-(4-bromophenyl)-1,6-dimethyl-1-(1-piperazin-1-ylethyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-1-ium CAS Name: 4-(4-bromophenyl)-1,6-dimethyl-1-[1-(1-piperazinyl)ethyl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-1-ium IUPAC Name: 4-(4-bromophenyl)-1,6-dimethyl-1-(1-piperazin-1-ylethyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-1-ium Traditional Name: 4-(4-bromophenyl)-1,6-dimethyl-1-(1-piperazinoethyl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-1-ium Formula: C21H30BrN4+ MolecularWeight: 418.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCNCC1)[N+]2(C=CC3=C2CN(CC3C4=CC=C(C=C4)Br)C)C

Isomeric SMILES

CC(N1CCNCC1)[N+]2(C=CC3=C2CN(CC3C4=CC=C(C=C4)Br)C)C

InChI

InChI=1S/C21H30BrN4/c1-16(25-11-9-23-10-12-25)26(3)13-8-19-20(14-24(2)15-21(19)26)17-4-6-18(22)7-5-17/h4-8,13,16,20,23H,9-12,14-15H2,1-3H3/q+1