[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl]-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl]-[2-(2-bromoanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(1-azocanyl)-2-oxoethyl]-[2-(2-bromoanilino)-2-oxoethyl]-methylammonium IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl]-[2-(2-bromoanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(azocan-1-yl)-2-keto-ethyl]-[2-(2-bromoanilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H27BrN3O2+ MolecularWeight: 397.32988

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1Br)CC(=O)N2CCCCCCC2

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1Br)CC(=O)N2CCCCCCC2

InChI

InChI=1S/C18H26BrN3O2/c1-21(13-17(23)20-16-10-6-5-9-15(16)19)14-18(24)22-11-7-3-2-4-8-12-22/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,20,23)/p+1