(2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-cyclohexyl-1,3-benzoxazol-6-yl)-(4-cyclopentyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCC[NH+](CC4)C5CCCC5

Isomeric SMILES

C1CCC(CC1)C2=NC3=C(O2)C=C(C=C3)C(=O)N4CCC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C24H33N3O2/c28-24(27-14-6-13-26(15-16-27)20-9-4-5-10-20)19-11-12-21-22(17-19)29-23(25-21)18-7-2-1-3-8-18/h11-12,17-18,20H,1-10,13-16H2/p+1