[1,1,2,5-tetramethyl-5-[(pentan-3-ylamino)methyl]-4-phenyl-piperidin-1-ium-4-yl] benzoate

Systemtic Name: [1,1,2,5-tetramethyl-5-[(pentan-3-ylamino)methyl]-4-phenyl-piperidin-1-ium-4-yl] benzoate Openeye Name: [5-[(1-ethylpropylamino)methyl]-1,1,2,5-tetramethyl-4-phenyl-piperidin-1-ium-4-yl] benzoate CAS Name: benzoic acid [1,1,2,5-tetramethyl-5-[(pentan-3-ylamino)methyl]-4-phenyl-4-piperidin-1-iumyl] ester IUPAC Name: [1,1,2,5-tetramethyl-5-[(pentan-3-ylamino)methyl]-4-phenylpiperidin-1-ium-4-yl] benzoate Traditional Name: benzoic acid [5-[(1-ethylpropylamino)methyl]-1,1,2,5-tetramethyl-4-phenyl-piperidin-1-ium-4-yl] ester Formula: C28H41N2O2+ MolecularWeight: 437.63734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1(C[N+](C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)(C)C)C

Isomeric SMILES

CCC(CC)NCC1(C[N+](C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)(C)C)C

InChI

InChI=1S/C28H41N2O2/c1-7-25(8-2)29-20-27(4)21-30(5,6)22(3)19-28(27,24-17-13-10-14-18-24)32-26(31)23-15-11-9-12-16-23/h9-18,22,25,29H,7-8,19-21H2,1-6H3/q+1