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

Systemtic Name: 1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea CAS Name: 1-[2-[(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[2-[(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[2-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCNC(=S)NCCCOC)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCNC(=S)NCCCOC)C#N)C

InChI

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