ethyl 4-[[3-[1-(3-methylthiophen-2-yl)carbonylpiperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[3-[1-(3-methylthiophen-2-yl)carbonylpiperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-[[1-(3-methylthiophene-2-carbonyl)-4-piperidyl]oxy]phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-[[1-[(3-methyl-2-thiophenyl)-oxomethyl]-4-piperidinyl]oxy]phenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]oxyphenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[3-[[1-(3-methylthiophene-2-carbonyl)-4-piperidyl]oxy]benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C25H34N3O4S+ MolecularWeight: 472.62016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=C(C=CS4)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)OC3CCN(CC3)C(=O)C4=C(C=CS4)C

InChI

InChI=1S/C25H33N3O4S/c1-3-31-25(30)28-14-12-26(13-15-28)18-20-5-4-6-22(17-20)32-21-7-10-27(11-8-21)24(29)23-19(2)9-16-33-23/h4-6,9,16-17,21H,3,7-8,10-15,18H2,1-2H3/p+1