diethyl-[[4-[[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[[1-(2-thenoyl)isonipecotoyl]amino]methyl]benzyl]ammonium Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H31N3O2S/c1-3-25(4-2)17-19-9-7-18(8-10-19)16-24-22(27)20-11-13-26(14-12-20)23(28)21-6-5-15-29-21/h5-10,15,20H,3-4,11-14,16-17H2,1-2H3,(H,24,27)/p+1