1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea

Systemtic Name: 1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[2-[(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[2-[(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-ethoxypropyl)thiourea Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NCCNC1=[NH+]C2=C(C=CC(=C2C)C)C=C1C#N

Isomeric SMILES

CCOCCCNC(=S)NCCNC1=[NH+]C2=C(C=CC(=C2C)C)C=C1C#N

InChI

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