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

Systemtic Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-(quinolin-3-ylmethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)thiazol-2-yl]pyrazol-3-yl]methyl-(3-quinolylmethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-2-thiazolyl]-3-pyrazolyl]methyl-(3-quinolinylmethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]methyl-(quinolin-3-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-[4-(4-methoxyphenyl)thiazol-2-yl]pyrazol-3-yl]methyl-(3-quinolylmethyl)ammonium Formula: C27H26N5O3S+ MolecularWeight: 500.59204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C[NH2+]CC4=CC5=CC=CC=C5N=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC=C(C=C3)OC)C[NH2+]CC4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C27H25N5O3S/c1-3-35-26(33)22-15-30-32(27-31-24(17-36-27)19-8-10-21(34-2)11-9-19)25(22)16-28-13-18-12-20-6-4-5-7-23(20)29-14-18/h4-12,14-15,17,28H,3,13,16H2,1-2H3/p+1