(E)-3-(3-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[4-(1-piperidin-1-iumylmethyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acrylamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3/c25-21(12-9-17-5-4-6-20(15-17)24(26)27)22-19-10-7-18(8-11-19)16-23-13-2-1-3-14-23/h4-12,15H,1-3,13-14,16H2,(H,22,25)/p+1/b12-9+