1-[2-[(3-cyano-8-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-ethyl-thiourea

Systemtic Name: 1-[2-[(3-cyano-8-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-ethyl-thiourea Openeye Name: 1-[2-[(3-cyano-8-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-ethyl-thiourea CAS Name: 1-[2-[(3-cyano-8-methyl-2-quinolin-1-iumyl)amino]ethyl]-3-ethylthiourea IUPAC Name: 1-[2-[(3-cyano-8-methylquinolin-1-ium-2-yl)amino]ethyl]-3-ethylthiourea Traditional Name: 1-[2-[(3-cyano-8-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-ethyl-thiourea Formula: C16H20N5S+ MolecularWeight: 314.4285

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NCCNC1=[NH+]C2=C(C=CC=C2C)C=C1C#N

Isomeric SMILES

CCNC(=S)NCCNC1=[NH+]C2=C(C=CC=C2C)C=C1C#N

InChI

InChI=1S/C16H19N5S/c1-3-18-16(22)20-8-7-19-15-13(10-17)9-12-6-4-5-11(2)14(12)21-15/h4-6,9H,3,7-8H2,1-2H3,(H,19,21)(H2,18,20,22)/p+1