(Z)-2-acetamido-3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (Z)-2-acetamido-3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (Z)-2-acetamido-3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (Z)-2-acetamido-3-phenyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (Z)-2-acetamido-3-phenyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (Z)-2-acetamido-3-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C23H27N3O2/c1-18(27)25-22(15-19-7-3-2-4-8-19)23(28)24-16-20-9-11-21(12-10-20)17-26-13-5-6-14-26/h2-4,7-12,15H,5-6,13-14,16-17H2,1H3,(H,24,28)(H,25,27)/p+1/b22-15-