1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-methyl-thiourea

Systemtic Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-methyl-thiourea Openeye Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-methyl-thiourea CAS Name: 1-[3-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]propyl]-3-methylthiourea IUPAC Name: 1-[3-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]propyl]-3-methylthiourea Traditional Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-methyl-thiourea Formula: C17H22N5S+ MolecularWeight: 328.45508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=S)NC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=S)NC)C#N)C

InChI

InChI=1S/C17H21N5S/c1-11-7-12(2)14-9-13(10-18)16(22-15(14)8-11)20-5-4-6-21-17(23)19-3/h7-9H,4-6H2,1-3H3,(H,20,22)(H2,19,21,23)/p+1