1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[2-[(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[2-[(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H32N6OS+2 MolecularWeight: 428.59408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCNC(=S)NCCC[NH+]3CCOCC3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCNC(=S)NCCC[NH+]3CCOCC3)C#N)C

InChI

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