(E)-3-(6-methoxynaphthalen-2-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)prop-2-enamide

Systemtic Name: (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)prop-2-enamide Openeye Name: (E)-3-(6-methoxy-2-naphthyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)prop-2-enamide CAS Name: (E)-3-(6-methoxy-2-naphthalenyl)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-2-propenamide IUPAC Name: (E)-3-(6-methoxynaphthalen-2-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)prop-2-enamide Traditional Name: (E)-3-(6-methoxy-2-naphthyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)acrylamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)NCCC[NH+]3CCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)NCCC[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O2/c1-25-20-9-8-18-15-17(5-7-19(18)16-20)6-10-21(24)22-11-4-14-23-12-2-3-13-23/h5-10,15-16H,2-4,11-14H2,1H3,(H,22,24)/p+1/b10-6+