methyl 2-[2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-5-yl]ethanoate

Systemtic Name: methyl 2-[2-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-5-yl]ethanoate Openeye Name: methyl 2-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-benzoxazol-5-yl]acetate CAS Name: 2-[2-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,3-benzoxazol-5-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-benzoxazol-5-yl]acetate Traditional Name: 2-[2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,3-benzoxazol-5-yl]acetic acid methyl ester Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)OC(=N2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-27-23(26)15-19-7-8-21-20(14-19)24-22(28-21)16-25-11-9-18(10-12-25)13-17-5-3-2-4-6-17/h2-8,14,18H,9-13,15-16H2,1H3/p+1