(2S,4R)-4-[(2-chlorophenyl)methylamino]-N-ethyl-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-[(2-chlorophenyl)methylamino]-N-ethyl-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-[(2-chlorophenyl)methylamino]-N-ethyl-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-[(2-chlorophenyl)methylamino]-N-ethyl-1-(1-propyl-4-piperidin-1-iumyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-[(2-chlorophenyl)methylamino]-N-ethyl-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-[(2-chlorobenzyl)amino]-N-ethyl-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxamide Formula: C22H37ClN4O+2 MolecularWeight: 409.00838

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CC(CC2C(=O)NCC)NCC3=CC=CC=C3Cl

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2C[C@@H](C[C@H]2C(=O)NCC)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H35ClN4O/c1-3-11-26-12-9-19(10-13-26)27-16-18(14-21(27)22(28)24-4-2)25-15-17-7-5-6-8-20(17)23/h5-8,18-19,21,25H,3-4,9-16H2,1-2H3,(H,24,28)/p+2/t18-,21+/m1/s1