methyl-(quinolin-6-ylmethyl)-[[4-[2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]phenyl]methyl]azanium

Systemtic Name: methyl-(quinolin-6-ylmethyl)-[[4-[2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethoxy]phenyl]methyl]azanium Openeye Name: methyl-(6-quinolylmethyl)-[[4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]ammonium CAS Name: methyl-[[4-[2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethoxy]phenyl]methyl]-(6-quinolinylmethyl)ammonium IUPAC Name: methyl-(quinolin-6-ylmethyl)-[[4-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]methyl]azanium Traditional Name: methyl-(6-quinolylmethyl)-[4-[2-[4-(2-thenoyl)piperazino]ethoxy]benzyl]ammonium Formula: C29H33N4O2S+ MolecularWeight: 501.66292

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCCN2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C29H32N4O2S/c1-31(22-24-8-11-27-25(20-24)4-2-12-30-27)21-23-6-9-26(10-7-23)35-18-17-32-13-15-33(16-14-32)29(34)28-5-3-19-36-28/h2-12,19-20H,13-18,21-22H2,1H3/p+1