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

Systemtic Name: (5-bromanyl-2-prop-2-ynoxy-phenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(5-bromo-2-prop-2-ynoxy-phenyl)methyl]ammonium CAS Name: (5-bromo-2-prop-2-ynoxyphenyl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(5-bromo-2-propargyloxy-benzyl)ammonium Formula: C22H27BrN2O+2 MolecularWeight: 415.36658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O/c1-2-14-26-22-9-8-20(23)15-19(22)16-24-21-10-12-25(13-11-21)17-18-6-4-3-5-7-18/h1,3-9,15,21,24H,10-14,16-17H2/p+2