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

Systemtic Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(2-methoxyethyl)thiourea CAS Name: 1-[3-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]propyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[3-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]propyl]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(2-methoxyethyl)thiourea Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5OS/c1-13-9-14(2)16-11-15(12-20)18(24-17(16)10-13)21-5-4-6-22-19(26)23-7-8-25-3/h9-11H,4-8H2,1-3H3,(H,21,24)(H2,22,23,26)/p+1