(2S)-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C[N+]1(CCCC1)CC2=CC=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O3/c1-24(13-5-6-14-24)16-18-9-11-19(12-10-18)21(25)23-20(22(26)27)15-17-7-3-2-4-8-17/h2-4,7-12,20H,5-6,13-16H2,1H3,(H-,23,25,26,27)/p+1/t20-/m0/s1