N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C27H39N3O2+2 MolecularWeight: 437.61746

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-2-30-17-6-9-24(30)21-28-27(31)23-10-12-25(13-11-23)32-26-15-19-29(20-16-26)18-14-22-7-4-3-5-8-22/h3-5,7-8,10-13,24,26H,2,6,9,14-21H2,1H3,(H,28,31)/p+2/t24-/m0/s1