(3-bromanyl-4-prop-2-enoxy-phenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (3-bromanyl-4-prop-2-enoxy-phenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (4-allyloxy-3-bromo-phenyl)methyl-(1-benzylpiperidin-1-ium-4-yl)ammonium CAS Name: (3-bromo-4-prop-2-enoxyphenyl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(3-bromo-4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxy-3-bromo-benzyl)-(1-benzylpiperidin-1-ium-4-yl)ammonium Formula: C22H29BrN2O+2 MolecularWeight: 417.38246

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C22H27BrN2O/c1-2-14-26-22-9-8-19(15-21(22)23)16-24-20-10-12-25(13-11-20)17-18-6-4-3-5-7-18/h2-9,15,20,24H,1,10-14,16-17H2/p+2