2-[4-[3-[(4-bromophenyl)carbonylamino]propanoyl]piperazin-1-ium-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[4-[3-[(4-bromophenyl)carbonylamino]propanoyl]piperazin-1-ium-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-[3-[(4-bromobenzoyl)amino]propanoyl]piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]-1-piperazin-1-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[4-[3-[(4-bromobenzoyl)amino]propanoyl]piperazin-1-ium-1-yl]ethyl-dimethylazanium Traditional Name: 2-[4-[3-[(4-bromobenzoyl)amino]propanoyl]piperazin-1-ium-1-yl]ethyl-dimethyl-ammonium Formula: C18H29BrN4O2+2 MolecularWeight: 413.35246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+](C)CC[NH+]1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H27BrN4O2/c1-21(2)9-10-22-11-13-23(14-12-22)17(24)7-8-20-18(25)15-3-5-16(19)6-4-15/h3-6H,7-14H2,1-2H3,(H,20,25)/p+2