(2S,4R)-4-[(3-chlorophenyl)methylamino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4R)-4-[(3-chlorophenyl)methylamino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4R)-4-[(3-chlorophenyl)methylamino]-N-methyl-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4R)-4-[(3-chlorophenyl)methylamino]-N-methyl-1-(1-propyl-4-piperidinyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4R)-4-[(3-chlorophenyl)methylamino]-N-methyl-1-(1-propylpiperidin-4-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4R)-4-[(3-chlorobenzyl)amino]-N-methyl-1-(1-propyl-4-piperidyl)pyrrolidin-1-ium-2-carboxamide Formula: C21H34ClN4O+ MolecularWeight: 393.97386

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CC(CC2C(=O)NC)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2C[C@@H](C[C@H]2C(=O)NC)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H33ClN4O/c1-3-9-25-10-7-19(8-11-25)26-15-18(13-20(26)21(27)23-2)24-14-16-5-4-6-17(22)12-16/h4-6,12,18-20,24H,3,7-11,13-15H2,1-2H3,(H,23,27)/p+1/t18-,20+/m1/s1