1,3-bis(4-azanyl-2-methyl-quinolin-1-ium-6-yl)urea

Systemtic Name: 1,3-bis(4-azanyl-2-methyl-quinolin-1-ium-6-yl)urea Openeye Name: 1,3-bis(4-amino-2-methyl-quinolin-1-ium-6-yl)urea CAS Name: 1,3-bis(4-amino-2-methyl-6-quinolin-1-iumyl)urea IUPAC Name: 1,3-bis(4-amino-2-methylquinolin-1-ium-6-yl)urea Traditional Name: 1,3-bis(4-amino-2-methyl-quinolin-1-ium-6-yl)urea Formula: C21H22N6O+2 MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)[NH+]=C(C=C4N)C)C(=C1)N

Isomeric SMILES

CC1=[NH+]C2=C(C=C(C=C2)NC(=O)NC3=CC4=C(C=C3)[NH+]=C(C=C4N)C)C(=C1)N

InChI

InChI=1S/C21H20N6O/c1-11-7-17(22)15-9-13(3-5-19(15)24-11)26-21(28)27-14-4-6-20-16(10-14)18(23)8-12(2)25-20/h3-10H,1-2H3,(H2,22,24)(H2,23,25)(H2,26,27,28)/p+2