4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-7-chloranyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-7-chloranyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]-7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-[(3-butyl-2-esyl-imidazol-4-yl)methyl]-7-chloro-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C19H27ClN3O3S+ MolecularWeight: 412.95398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCOC3=C(C2)C=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCOC3=C(C2)C=C(C=C3)Cl

InChI

InChI=1S/C19H26ClN3O3S/c1-3-5-8-23-17(12-21-19(23)27(24,25)4-2)14-22-9-10-26-18-7-6-16(20)11-15(18)13-22/h6-7,11-12H,3-5,8-10,13-14H2,1-2H3/p+1