N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-phenylpiperidin-4-yl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-phenylpiperidin-4-yl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-phenyl-4-piperidyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-(1-phenyl-4-piperidinyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-phenylpiperidin-4-yl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-phenyl-4-piperidyl)piperidin-1-ium-4-yl]propionamide Formula: C26H44N4O+2 MolecularWeight: 428.65376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CC[NH+](CC2)C3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CC[NH+](CC2)C3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H42N4O/c1-2-28-16-6-9-25(28)21-27-26(31)11-10-22-12-17-29(18-13-22)24-14-19-30(20-15-24)23-7-4-3-5-8-23/h3-5,7-8,22,24-25H,2,6,9-21H2,1H3,(H,27,31)/p+2/t25-/m0/s1