[3-[butyl-[2-(3-carboxypyrrolidin-1-yl)ethanoyl]amino]phenyl]methyl-trimethyl-azanium

Systemtic Name: [3-[butyl-[2-(3-carboxypyrrolidin-1-yl)ethanoyl]amino]phenyl]methyl-trimethyl-azanium Openeye Name: [3-[butyl-[2-(3-carboxypyrrolidin-1-yl)acetyl]amino]phenyl]methyl-trimethyl-ammonium CAS Name: [3-[butyl-[2-(3-carboxy-1-pyrrolidinyl)-1-oxoethyl]amino]phenyl]methyl-trimethylammonium IUPAC Name: [3-[butyl-[2-(3-carboxypyrrolidin-1-yl)acetyl]amino]phenyl]methyl-trimethylazanium Traditional Name: [3-[butyl-[2-(3-carboxypyrrolidino)acetyl]amino]benzyl]-trimethyl-ammonium Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC(=C1)C[N+](C)(C)C)C(=O)CN2CCC(C2)C(=O)O

Isomeric SMILES

CCCCN(C1=CC=CC(=C1)C[N+](C)(C)C)C(=O)CN2CCC(C2)C(=O)O

InChI

InChI=1S/C21H33N3O3/c1-5-6-11-23(19-9-7-8-17(13-19)16-24(2,3)4)20(25)15-22-12-10-18(14-22)21(26)27/h7-9,13,18H,5-6,10-12,14-16H2,1-4H3/p+1