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1-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(2-methoxyethyl)thiourea
1-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(2-methoxyethyl)thiourea
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=S)NCCOC)C#N)C
Isomeric SMILES
CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=S)NCCOC)C#N)C
InChI
InChI=1S/C19H25N5OS/c1-13-5-6-15-11-16(12-20)18(24-17(15)14(13)2)21-7-4-8-22-19(26)23-9-10-25-3/h5-6,11H,4,7-10H2,1-3H3,(H,21,24)(H2,22,23,26)/p+1
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