10-pentylacridin-10-ium-3,6-diamine sulfate

Systemtic Name: 10-pentylacridin-10-ium-3,6-diamine sulfate Openeye Name: 10-pentylacridin-10-ium-3,6-diamine sulfate CAS Name: 10-pentylacridin-10-ium-3,6-diamine sulfate IUPAC Name: 10-pentylacridin-10-ium-3,6-diamine sulfate Traditional Name: (6-amino-10-amyl-acridin-10-ium-3-yl)amine sulfate Formula: C36H44N6O4S MolecularWeight: 656.83736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.CCCCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.CCCCC[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C18H21N3.H2O4S/c2*1-2-3-4-9-21-17-11-15(19)7-5-13(17)10-14-6-8-16(20)12-18(14)21;1-5(2,3)4/h2*5-8,10-12H,2-4,9H2,1H3,(H3,19,20);(H2,1,2,3,4)