N-[2-[1-[2-(4-azanyl-3-butyl-phenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-propan-2-yl-prop-2-enamide

Systemtic Name: N-[2-[1-[2-(4-azanyl-3-butyl-phenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-propan-2-yl-prop-2-enamide Openeye Name: N-[2-[1-[2-(4-amino-3-butyl-phenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-isopropyl-prop-2-enamide CAS Name: N-[2-[1-[2-(4-amino-3-butylphenyl)ethyl]-1-piperidin-1-iumyl]ethyl]-N-propan-2-yl-2-propenamide IUPAC Name: N-[2-[1-[2-(4-amino-3-butylphenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-propan-2-ylprop-2-enamide Traditional Name: N-[2-[1-[2-(4-amino-3-butyl-phenyl)ethyl]piperidin-1-ium-1-yl]ethyl]-N-isopropyl-acrylamide Formula: C25H42N3O+ MolecularWeight: 400.62048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)CC[N+]2(CCCCC2)CCN(C(C)C)C(=O)C=C)N

Isomeric SMILES

CCCCC1=C(C=CC(=C1)CC[N+]2(CCCCC2)CCN(C(C)C)C(=O)C=C)N

InChI

InChI=1S/C25H42N3O/c1-5-7-11-23-20-22(12-13-24(23)26)14-18-28(16-9-8-10-17-28)19-15-27(21(3)4)25(29)6-2/h6,12-13,20-21H,2,5,7-11,14-19,26H2,1,3-4H3/q+1