N,N-diethyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine chloride

Systemtic Name: N,N-diethyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine chloride Openeye Name: N,N-diethyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine chloride CAS Name: N,N-diethyl-7-(1-piperidin-1-iumylidene)-3-phenoxazinamine chloride IUPAC Name: N,N-diethyl-7-piperidin-1-ium-1-ylidenephenoxazin-3-amine chloride Traditional Name: diethyl-(7-piperidin-1-ium-1-ylidenephenoxazin-3-yl)amine chloride Formula: C21H26ClN3O MolecularWeight: 371.90364

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCCCC4)C=C3O2.[Cl-]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCCCC4)C=C3O2.[Cl-]

InChI

InChI=1S/C21H26N3O.ClH/c1-3-23(4-2)16-8-10-18-20(14-16)25-21-15-17(9-11-19(21)22-18)24-12-6-5-7-13-24;/h8-11,14-15H,3-7,12-13H2,1-2H3;1H/q+1;/p-1