methyl 2-[9-(3-azanylpropylamino)-7-(2-hydroxyethyl)benzo[a]phenazin-7-ium-5-yl]oxyethanoate

Systemtic Name: methyl 2-[9-(3-azanylpropylamino)-7-(2-hydroxyethyl)benzo[a]phenazin-7-ium-5-yl]oxyethanoate Openeye Name: methyl 2-[9-(3-aminopropylamino)-7-(2-hydroxyethyl)benzo[a]phenazin-7-ium-5-yl]oxyacetate CAS Name: 2-[[9-(3-aminopropylamino)-7-(2-hydroxyethyl)-5-benzo[a]phenazin-7-iumyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[9-(3-aminopropylamino)-7-(2-hydroxyethyl)benzo[a]phenazin-7-ium-5-yl]oxyacetate Traditional Name: 2-[9-(3-aminopropylamino)-7-(2-hydroxyethyl)benzo[a]phenazin-7-ium-5-yl]oxyacetic acid methyl ester Formula: C24H27N4O4+ MolecularWeight: 435.49558

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC2=[N+](C3=C(C=CC(=C3)NCCCN)N=C2C4=CC=CC=C41)CCO

Isomeric SMILES

COC(=O)COC1=CC2=[N+](C3=C(C=CC(=C3)NCCCN)N=C2C4=CC=CC=C41)CCO

InChI

InChI=1S/C24H26N4O4/c1-31-23(30)15-32-22-14-21-24(18-6-3-2-5-17(18)22)27-19-8-7-16(26-10-4-9-25)13-20(19)28(21)11-12-29/h2-3,5-8,13-14,29H,4,9-12,15,25H2,1H3/p+1