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

Systemtic Name: 10-butylacridin-10-ium-3,6-diamine sulfate Openeye Name: 10-butylacridin-10-ium-3,6-diamine sulfate CAS Name: 10-butylacridin-10-ium-3,6-diamine sulfate IUPAC Name: 10-butylacridin-10-ium-3,6-diamine sulfate Traditional Name: (6-amino-10-butyl-acridin-10-ium-3-yl)amine sulfate Formula: C34H40N6O4S MolecularWeight: 628.7842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H19N3.H2O4S/c2*1-2-3-8-20-16-10-14(18)6-4-12(16)9-13-5-7-15(19)11-17(13)20;1-5(2,3)4/h2*4-7,9-11H,2-3,8H2,1H3,(H3,18,19);(H2,1,2,3,4)