3-[(4-bromophenyl)amino]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(4-bromophenyl)amino]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-bromoanilino)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4-bromoanilino)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromoanilino)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(4-bromoanilino)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C18H22BrN4O+ MolecularWeight: 390.29748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCNC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCNC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrN4O/c19-15-4-6-16(7-5-15)20-10-8-18(24)23-13-11-22(12-14-23)17-3-1-2-9-21-17/h1-7,9,20H,8,10-14H2/p+1