N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)acrylamide Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NCCC[NH+]2CCCCCC2

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NCCC[NH+]2CCCCCC2

InChI

InChI=1S/C19H28N2O2/c1-23-18-10-7-17(8-11-18)9-12-19(22)20-13-6-16-21-14-4-2-3-5-15-21/h7-12H,2-6,13-16H2,1H3,(H,20,22)/p+1