(3R)-3-acetamido-3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: (3R)-3-acetamido-3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: (3R)-3-acetamido-3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: (3R)-3-acetamido-3-phenyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: (3R)-3-acetamido-3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: (3R)-3-acetamido-3-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-18(27)25-22(21-7-3-2-4-8-21)15-23(28)24-16-19-9-11-20(12-10-19)17-26-13-5-6-14-26/h2-4,7-12,22H,5-6,13-17H2,1H3,(H,24,28)(H,25,27)/p+1/t22-/m1/s1