N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-methylsulfanyl-benzamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-methylsulfanyl-benzamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-methylsulfanyl-benzamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-N-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-4-(methylthio)benzamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-methylsulfanylbenzamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-4-(methylthio)benzamide Formula: C24H41N3O2S+2 MolecularWeight: 435.66624

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN(CC2CC[NH+](CC2)CCOC)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN(CC2CC[NH+](CC2)CCOC)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H39N3O2S/c1-4-26-13-5-6-22(26)19-27(24(28)21-7-9-23(30-3)10-8-21)18-20-11-14-25(15-12-20)16-17-29-2/h7-10,20,22H,4-6,11-19H2,1-3H3/p+2/t22-/m0/s1