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

Systemtic Name: 1-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[2-[(3-cyano-6-methyl-2-quinolin-1-iumyl)amino]ethyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[2-[(3-cyano-6-methylquinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H30N6OS+2 MolecularWeight: 414.5675

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6OS/c1-16-3-4-19-17(13-16)14-18(15-22)20(26-19)23-6-7-25-21(29)24-5-2-8-27-9-11-28-12-10-27/h3-4,13-14H,2,5-12H2,1H3,(H,23,26)(H2,24,25,29)/p+2