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

Systemtic Name: 1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-methoxypropyl)thiourea CAS Name: 1-[3-[(3-cyano-6-methyl-2-quinolin-1-iumyl)amino]propyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[3-[(3-cyano-6-methylquinolin-1-ium-2-yl)amino]propyl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-methoxypropyl)thiourea Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5OS/c1-14-5-6-17-15(11-14)12-16(13-20)18(24-17)21-7-3-8-22-19(26)23-9-4-10-25-2/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,21,24)(H2,22,23,26)/p+1