(2R)-1-[(2S)-2-azanyl-4-methyl-pentyl]-2-methyl-N-(4-phenylbutyl)pyrrolidin-1-ium-1-carboxamide

Systemtic Name: (2R)-1-[(2S)-2-azanyl-4-methyl-pentyl]-2-methyl-N-(4-phenylbutyl)pyrrolidin-1-ium-1-carboxamide Openeye Name: (2R)-1-[(2S)-2-amino-4-methyl-pentyl]-2-methyl-N-(4-phenylbutyl)pyrrolidin-1-ium-1-carboxamide CAS Name: (2R)-1-[(2S)-2-amino-4-methylpentyl]-2-methyl-N-(4-phenylbutyl)-1-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-1-[(2S)-2-amino-4-methylpentyl]-2-methyl-N-(4-phenylbutyl)pyrrolidin-1-ium-1-carboxamide Traditional Name: (2R)-1-[(2S)-2-amino-4-methyl-pentyl]-2-methyl-N-(4-phenylbutyl)pyrrolidin-1-ium-1-carboxamide Formula: C22H38N3O+ MolecularWeight: 360.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+]1(CC(CC(C)C)N)C(=O)NCCCCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CCC[N+]1(C[C@H](CC(C)C)N)C(=O)NCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H37N3O/c1-18(2)16-21(23)17-25(15-9-10-19(25)3)22(26)24-14-8-7-13-20-11-5-4-6-12-20/h4-6,11-12,18-19,21H,7-10,13-17,23H2,1-3H3/p+1/t19-,21+,25?/m1/s1