ethyl 4-[1-[[2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]amino]piperidin-1-ium-1-yl]benzoate

Systemtic Name: ethyl 4-[1-[[2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]amino]piperidin-1-ium-1-yl]benzoate Openeye Name: ethyl 4-[1-[[3-(4-benzyloxyphenoxy)-2-hydroxy-propyl]amino]piperidin-1-ium-1-yl]benzoate CAS Name: 4-[1-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]-1-piperidin-1-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]piperidin-1-ium-1-yl]benzoate Traditional Name: 4-[1-[[3-(4-benzoxyphenoxy)-2-hydroxy-propyl]amino]piperidin-1-ium-1-yl]benzoic acid ethyl ester Formula: C30H37N2O5+ MolecularWeight: 505.62518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)[N+]2(CCCCC2)NCC(COC3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)[N+]2(CCCCC2)NCC(COC3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C30H37N2O5/c1-2-35-30(34)25-11-13-26(14-12-25)32(19-7-4-8-20-32)31-21-27(33)23-37-29-17-15-28(16-18-29)36-22-24-9-5-3-6-10-24/h3,5-6,9-18,27,31,33H,2,4,7-8,19-23H2,1H3/q+1