N-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-propyl]-2-methoxy-benzamide

Systemtic Name: N-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-oxidanylidene-propyl]-2-methoxy-benzamide Openeye Name: N-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-oxo-propyl]-2-methoxy-benzamide CAS Name: N-[3-[2-(cyclohexylamino)-1-pyridin-1-iumyl]-3-oxopropyl]-2-methoxybenzamide IUPAC Name: N-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-oxopropyl]-2-methoxybenzamide Traditional Name: N-[3-[2-(cyclohexylamino)pyridin-1-ium-1-yl]-3-keto-propyl]-2-methoxy-benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCCC(=O)[N+]2=CC=CC=C2NC3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NCCC(=O)[N+]2=CC=CC=C2NC3CCCCC3

InChI

InChI=1S/C22H27N3O3/c1-28-19-12-6-5-11-18(19)22(27)23-15-14-21(26)25-16-8-7-13-20(25)24-17-9-3-2-4-10-17/h5-8,11-13,16-17H,2-4,9-10,14-15H2,1H3,(H,23,27)/p+1