1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[3-[(3-cyano-6-methyl-2-quinolin-1-iumyl)amino]propyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[3-[(3-cyano-6-methylquinolin-1-ium-2-yl)amino]propyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H32N6OS+2 MolecularWeight: 428.59408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H30N6OS/c1-17-4-5-20-18(14-17)15-19(16-23)21(27-20)24-6-2-7-25-22(30)26-8-3-9-28-10-12-29-13-11-28/h4-5,14-15H,2-3,6-13H2,1H3,(H,24,27)(H2,25,26,30)/p+2