1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-methyl-thiourea

Systemtic Name: 1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-methyl-thiourea Openeye Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-methyl-thiourea CAS Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-methylthiourea IUPAC Name: 1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-methylthiourea Traditional Name: 1-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-methyl-thiourea Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2=CC3=C(C(=C(C=C3)C)C)NC2=O)C(=S)NC

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN(CC2=CC3=C(C(=C(C=C3)C)C)NC2=O)C(=S)NC

InChI

InChI=1S/C21H30N4OS/c1-5-24-10-6-7-18(24)13-25(21(27)22-4)12-17-11-16-9-8-14(2)15(3)19(16)23-20(17)26/h8-9,11,18H,5-7,10,12-13H2,1-4H3,(H,22,27)(H,23,26)/p+1/t18-/m1/s1