ethyl 2-[1-(diphenylmethyl)-4-[2-(1H-indol-2-ylcarbonylamino)butanoyl]piperazin-1-ium-1-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: ethyl 2-[1-(diphenylmethyl)-4-[2-(1H-indol-2-ylcarbonylamino)butanoyl]piperazin-1-ium-1-yl]sulfanylpyridine-3-carboxylate Openeye Name: ethyl 2-[1-benzhydryl-4-[2-(1H-indole-2-carbonylamino)butanoyl]piperazin-1-ium-1-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[1-(diphenylmethyl)-4-[2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxobutyl]-1-piperazin-1-iumyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-benzhydryl-4-[2-(1H-indole-2-carbonylamino)butanoyl]piperazin-1-ium-1-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[1-benzhydryl-4-[2-(1H-indole-2-carbonylamino)butanoyl]piperazin-1-ium-1-yl]thio]nicotinic acid ethyl ester Formula: C38H40N5O4S+ MolecularWeight: 662.8203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CC[N+](CC1)(C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=C(C=CC=N4)C(=O)OCC)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

CCC(C(=O)N1CC[N+](CC1)(C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=C(C=CC=N4)C(=O)OCC)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C38H39N5O4S/c1-3-31(41-35(44)33-26-29-18-11-12-20-32(29)40-33)37(45)42-22-24-43(25-23-42,48-36-30(19-13-21-39-36)38(46)47-4-2)34(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-21,26,31,34H,3-4,22-25H2,1-2H3,(H-,40,41,44)/p+1