3-azanylpropyl-[3-(ethylamino)-2-methyl-naphtho[2,3-a]phenoxazin-7-ylidene]azanium chloride

Systemtic Name: 3-azanylpropyl-[3-(ethylamino)-2-methyl-naphtho[2,3-a]phenoxazin-7-ylidene]azanium chloride Openeye Name: 3-aminopropyl-[3-(ethylamino)-2-methyl-naphtho[2,3-a]phenoxazin-7-ylidene]ammonium chloride CAS Name: 3-aminopropyl-[3-(ethylamino)-2-methyl-7-naphtho[2,3-a]phenoxazinylidene]ammonium chloride IUPAC Name: 3-aminopropyl-[3-(ethylamino)-2-methylnaphtho[2,3-a]phenoxazin-7-ylidene]azanium chloride Traditional Name: 3-aminopropyl-[3-(ethylamino)-2-methyl-naphtho[2,3-a]phenoxazin-7-ylidene]ammonium chloride Formula: C26H27ClN4O MolecularWeight: 446.97178

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC2=C(C=C1C)N=C3C4=CC5=CC=CC=C5C=C4C(=[NH+]CCCN)C=C3O2.[Cl-]

Isomeric SMILES

CCNC1=CC2=C(C=C1C)N=C3C4=CC5=CC=CC=C5C=C4C(=[NH+]CCCN)C=C3O2.[Cl-]

InChI

InChI=1S/C26H26N4O.ClH/c1-3-28-21-14-24-23(11-16(21)2)30-26-20-13-18-8-5-4-7-17(18)12-19(20)22(15-25(26)31-24)29-10-6-9-27;/h4-5,7-8,11-15,28H,3,6,9-10,27H2,1-2H3;1H