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

Systemtic Name: (Z)-2-acetamido-3-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (Z)-2-acetamido-3-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (Z)-2-acetamido-3-phenyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (Z)-2-acetamido-3-phenyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (Z)-2-acetamido-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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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+]3CCCCC3

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C24H29N3O2/c1-19(28)26-23(16-20-8-4-2-5-9-20)24(29)25-17-21-10-12-22(13-11-21)18-27-14-6-3-7-15-27/h2,4-5,8-13,16H,3,6-7,14-15,17-18H2,1H3,(H,25,29)(H,26,28)/p+1/b23-16-