1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-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=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=S)NCCC[NH+]3CCOCC3)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=S)NCCC[NH+]3CCOCC3)C#N)C

InChI

InChI=1S/C22H30N6OS/c1-16-12-17(2)19-14-18(15-23)21(27-20(19)13-16)24-5-6-26-22(30)25-4-3-7-28-8-10-29-11-9-28/h12-14H,3-11H2,1-2H3,(H,24,27)(H2,25,26,30)/p+2