ethyl 4-(phenylmethyl)-1-[[5-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(phenylmethyl)-1-[[5-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(phenylmethyl)-1-[[5-(1-pyrrolidin-1-iumylmethyl)-2-thiophenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[[5-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-benzyl-1-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H36N2O2S+2 MolecularWeight: 428.63054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(S2)C[NH+]3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(S2)C[NH+]3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N2O2S/c1-2-29-24(28)25(18-21-8-4-3-5-9-21)12-16-27(17-13-25)20-23-11-10-22(30-23)19-26-14-6-7-15-26/h3-5,8-11H,2,6-7,12-20H2,1H3/p+2