(7-ethynyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine

Systemtic Name: (7-ethynyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine Openeye Name: (7-ethynyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine CAS Name: (7-ethynyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine IUPAC Name: (7-ethynyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine Traditional Name: (7-ethynyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methylamine Formula: C18H15N3O MolecularWeight: 289.3312

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C=C1)N=C(C[N+](=C2C3=CC=CC=C3)[O-])CN

Isomeric SMILES

C#CC1=CC2=C(C=C1)N=C(C[N+](=C2C3=CC=CC=C3)[O-])CN

InChI

InChI=1S/C18H15N3O/c1-2-13-8-9-17-16(10-13)18(14-6-4-3-5-7-14)21(22)12-15(11-19)20-17/h1,3-10H,11-12,19H2