[4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-(3-methoxypropyl)azanium

Systemtic Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-(3-methoxypropyl)azanium Openeye Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)thiazol-2-yl]pyrazol-3-yl]methyl-(3-methoxypropyl)ammonium CAS Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-2-thiazolyl]-3-pyrazolyl]methyl-(3-methoxypropyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-(3-methoxypropyl)azanium Traditional Name: [4-carbethoxy-2-[4-(4-methoxyphenyl)thiazol-2-yl]pyrazol-3-yl]methyl-(3-methoxypropyl)ammonium Formula: C21H27N4O4S+ MolecularWeight: 431.52848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C[NH2+]CCCOC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C[NH2+]CCCOC

InChI

InChI=1S/C21H26N4O4S/c1-4-29-20(26)17-12-23-25(19(17)13-22-10-5-11-27-2)21-24-18(14-30-21)15-6-8-16(28-3)9-7-15/h6-9,12,14,22H,4-5,10-11,13H2,1-3H3/p+1