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

Systemtic Name: N-[2-[1-[(3-azanyl-4-methoxy-phenyl)methyl]piperidin-1-ium-1-yl]ethyl]-N-propan-2-yl-prop-2-enamide chloride Openeye Name: N-[2-[1-[(3-amino-4-methoxy-phenyl)methyl]piperidin-1-ium-1-yl]ethyl]-N-isopropyl-prop-2-enamide chloride CAS Name: N-[2-[1-[(3-amino-4-methoxyphenyl)methyl]-1-piperidin-1-iumyl]ethyl]-N-propan-2-yl-2-propenamide chloride IUPAC Name: N-[2-[1-[(3-amino-4-methoxyphenyl)methyl]piperidin-1-ium-1-yl]ethyl]-N-propan-2-ylprop-2-enamide chloride Traditional Name: N-[2-[1-(3-amino-4-methoxy-benzyl)piperidin-1-ium-1-yl]ethyl]-N-isopropyl-acrylamide chloride Formula: C21H34ClN3O2 MolecularWeight: 395.96656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC[N+]1(CCCCC1)CC2=CC(=C(C=C2)OC)N)C(=O)C=C.[Cl-]

Isomeric SMILES

CC(C)N(CC[N+]1(CCCCC1)CC2=CC(=C(C=C2)OC)N)C(=O)C=C.[Cl-]

InChI

InChI=1S/C21H34N3O2.ClH/c1-5-21(25)23(17(2)3)11-14-24(12-7-6-8-13-24)16-18-9-10-20(26-4)19(22)15-18;/h5,9-10,15,17H,1,6-8,11-14,16,22H2,2-4H3;1H/q+1;/p-1