(1-ethylbenzotriazol-5-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (1-ethylbenzotriazol-5-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (1-ethylbenzotriazol-5-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (1-ethyl-5-benzotriazolyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (1-ethylbenzotriazol-5-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (1-ethylbenzotriazol-5-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C15H22N5O+ MolecularWeight: 288.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC[NH+](CC3)C)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC[NH+](CC3)C)N=N1

InChI

InChI=1S/C15H21N5O/c1-3-20-14-6-5-12(11-13(14)16-17-20)15(21)19-8-4-7-18(2)9-10-19/h5-6,11H,3-4,7-10H2,1-2H3/p+1