1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methyl-thiourea

Systemtic Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methyl-thiourea Openeye Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methyl-thiourea CAS Name: 1-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-methylthiourea IUPAC Name: 1-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-methylthiourea Traditional Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methyl-thiourea Formula: C16H20N5S+ MolecularWeight: 314.4285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=S)NC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=S)NC)C#N)C

InChI

InChI=1S/C16H19N5S/c1-10-6-11(2)13-8-12(9-17)15(21-14(13)7-10)19-4-5-20-16(22)18-3/h6-8H,4-5H2,1-3H3,(H,19,21)(H2,18,20,22)/p+1