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

Systemtic Name: (2S,4R)-N,N-diethyl-1-(naphthalen-1-ylmethyl)-4-[(1-propylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-N,N-diethyl-1-(1-naphthylmethyl)-4-[(1-propylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-N,N-diethyl-1-(1-naphthalenylmethyl)-4-[(1-propyl-4-piperidin-1-iumyl)amino]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-N,N-diethyl-1-(naphthalen-1-ylmethyl)-4-[(1-propylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-N,N-diethyl-1-(1-naphthylmethyl)-4-[(1-propylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Formula: C28H44N4O+2 MolecularWeight: 452.67516

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2CC([NH+](C2)CC3=CC=CC4=CC=CC=C43)C(=O)N(CC)CC

Isomeric SMILES

CCC[NH+]1CCC(CC1)N[C@@H]2C[C@H]([NH+](C2)CC3=CC=CC4=CC=CC=C43)C(=O)N(CC)CC

InChI

InChI=1S/C28H42N4O/c1-4-16-30-17-14-24(15-18-30)29-25-19-27(28(33)31(5-2)6-3)32(21-25)20-23-12-9-11-22-10-7-8-13-26(22)23/h7-13,24-25,27,29H,4-6,14-21H2,1-3H3/p+2/t25-,27+/m1/s1