(2S,4S)-N,N-diethyl-4-[(1-methylpiperidin-1-ium-4-yl)amino]-1-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-N,N-diethyl-4-[(1-methylpiperidin-1-ium-4-yl)amino]-1-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-N,N-diethyl-4-[(1-methylpiperidin-1-ium-4-yl)amino]-1-(2-naphthylmethyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-N,N-diethyl-4-[(1-methyl-4-piperidin-1-iumyl)amino]-1-(2-naphthalenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-N,N-diethyl-4-[(1-methylpiperidin-1-ium-4-yl)amino]-1-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-N,N-diethyl-4-[(1-methylpiperidin-1-ium-4-yl)amino]-1-(2-naphthylmethyl)pyrrolidin-1-ium-2-carboxamide Formula: C26H40N4O+2 MolecularWeight: 424.622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CC(C[NH+]1CC2=CC3=CC=CC=C3C=C2)NC4CC[NH+](CC4)C

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC3=CC=CC=C3C=C2)NC4CC[NH+](CC4)C

InChI

InChI=1S/C26H38N4O/c1-4-29(5-2)26(31)25-17-24(27-23-12-14-28(3)15-13-23)19-30(25)18-20-10-11-21-8-6-7-9-22(21)16-20/h6-11,16,23-25,27H,4-5,12-15,17-19H2,1-3H3/p+2/t24-,25-/m0/s1