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

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[[5-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[[5-(1-pyrrolidin-1-iumylmethyl)-2-thiophenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[[5-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[[5-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H36N2O2S+2 MolecularWeight: 392.59844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(S2)C[NH+]3CCCC3)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(S2)C[NH+]3CCCC3)CC4CC4

InChI

InChI=1S/C22H34N2O2S/c1-2-26-21(25)22(15-18-5-6-18)9-13-24(14-10-22)17-20-8-7-19(27-20)16-23-11-3-4-12-23/h7-8,18H,2-6,9-17H2,1H3/p+2