[2-(cyclohexylamino)pyridin-1-ium-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

Systemtic Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone Openeye Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-[4-(thiazol-4-ylmethoxy)phenyl]methanone CAS Name: [2-(cyclohexylamino)-1-pyridin-1-iumyl]-[4-(4-thiazolylmethoxy)phenyl]methanone IUPAC Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone Traditional Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-[4-(thiazol-4-ylmethoxy)phenyl]methanone Formula: C22H24N3O2S+ MolecularWeight: 394.50986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=CC=C(C=C3)OCC4=CSC=N4

Isomeric SMILES

C1CCC(CC1)NC2=CC=CC=[N+]2C(=O)C3=CC=C(C=C3)OCC4=CSC=N4

InChI

InChI=1S/C22H23N3O2S/c26-22(17-9-11-20(12-10-17)27-14-19-15-28-16-23-19)25-13-5-4-8-21(25)24-18-6-2-1-3-7-18/h4-5,8-13,15-16,18H,1-3,6-7,14H2/p+1