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

Systemtic Name: N,N-dibutyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine chloride Openeye Name: N,N-dibutyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine chloride CAS Name: N,N-dibutyl-7-(1-piperidin-1-iumylidene)-3-phenoxazinamine chloride IUPAC Name: N,N-dibutyl-7-piperidin-1-ium-1-ylidenephenoxazin-3-amine chloride Traditional Name: dibutyl-(7-piperidin-1-ium-1-ylidenephenoxazin-3-yl)amine chloride Formula: C25H34ClN3O MolecularWeight: 428.00996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N3O.ClH/c1-3-5-14-27(15-6-4-2)20-10-12-22-24(18-20)29-25-19-21(11-13-23(25)26-22)28-16-8-7-9-17-28;/h10-13,18-19H,3-9,14-17H2,1-2H3;1H/q+1;/p-1