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

Systemtic Name: 1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[3-[(3-cyano-6-methyl-2-quinolin-1-iumyl)amino]propyl]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[3-[(3-cyano-6-methylquinolin-1-ium-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[3-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]propyl]-3-(3-ethoxypropyl)thiourea Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NCCCNC1=[NH+]C2=C(C=C(C=C2)C)C=C1C#N

Isomeric SMILES

CCOCCCNC(=S)NCCCNC1=[NH+]C2=C(C=C(C=C2)C)C=C1C#N

InChI

InChI=1S/C20H27N5OS/c1-3-26-11-5-10-24-20(27)23-9-4-8-22-19-17(14-21)13-16-12-15(2)6-7-18(16)25-19/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,22,25)(H2,23,24,27)/p+1