(4-bromanyl-1-methyl-pyrrol-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (4-bromanyl-1-methyl-pyrrol-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-bromo-1-methyl-pyrrol-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-bromo-1-methyl-2-pyrrolyl)-(1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-bromo-1-methylpyrrol-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-bromo-1-methyl-pyrrol-2-yl)-(1,4-diazepan-4-ium-1-yl)methanone Formula: C11H17BrN3O+ MolecularWeight: 287.17618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCC[NH2+]CC2)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCC[NH2+]CC2)Br

InChI

InChI=1S/C11H16BrN3O/c1-14-8-9(12)7-10(14)11(16)15-5-2-3-13-4-6-15/h7-8,13H,2-6H2,1H3/p+1