4-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-[(2-ethyl-5-methyl-1H-imidazol-3-ium-4-yl)methyl]-7-(1H-inden-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H29N3O+2 MolecularWeight: 387.51726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C(=C(N1)C)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

Isomeric SMILES

CCC1=[NH+]C(=C(N1)C)C[NH+]2CCOC3=C(C2)C=C(C=C3)C4=CC5=CC=CC=C5C4

InChI

InChI=1S/C25H27N3O/c1-3-25-26-17(2)23(27-25)16-28-10-11-29-24-9-8-20(14-22(24)15-28)21-12-18-6-4-5-7-19(18)13-21/h4-9,12,14H,3,10-11,13,15-16H2,1-2H3,(H,26,27)/p+2