1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-[2-(1-pyrrolidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-pyrrolidin-1-ium-1-ylethyl)thiourea Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=S)NC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC[NH+]3CCCC3)C(=S)NC

InChI

InChI=1S/C20H28N4O2S/c1-3-26-17-6-7-18-15(13-17)12-16(19(25)22-18)14-24(20(27)21-2)11-10-23-8-4-5-9-23/h6-7,12-13H,3-5,8-11,14H2,1-2H3,(H,21,27)(H,22,25)/p+1