N-(3-azanyl-3-azanylidene-propyl)-4-[[4-(2-bromanylprop-2-enoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide chloride

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-4-[[4-(2-bromanylprop-2-enoylamino)-1-methyl-pyrrol-2-yl]carbonylamino]-1-methyl-pyrrole-2-carboxamide chloride Openeye Name: N-(3-amino-3-imino-propyl)-4-[[4-(2-bromoprop-2-enoylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide chloride CAS Name: N-(3-amino-3-iminopropyl)-4-[[[4-[(2-bromo-1-oxoprop-2-enyl)amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-1-methyl-2-pyrrolecarboxamide chloride IUPAC Name: N-(3-amino-3-iminopropyl)-4-[[4-(2-bromoprop-2-enoylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide chloride Traditional Name: N-(3-amino-3-imino-propyl)-4-[[4-[(2-bromoacryloyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxamide chloride Formula: C18H22BrClN7O3- MolecularWeight: 499.76938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C(=C)Br.[Cl-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)C(=C)Br.[Cl-]

InChI

InChI=1S/C18H22BrN7O3.ClH/c1-10(19)16(27)23-11-7-14(26(3)8-11)18(29)24-12-6-13(25(2)9-12)17(28)22-5-4-15(20)21;/h6-9H,1,4-5H2,2-3H3,(H3,20,21)(H,22,28)(H,23,27)(H,24,29);1H/p-1