3-oxidanylpropyl 4-phenyl-2-[(1,1,5-trimethylpiperidin-1-ium-3-yl)methyl]pentanoate

Systemtic Name: 3-oxidanylpropyl 4-phenyl-2-[(1,1,5-trimethylpiperidin-1-ium-3-yl)methyl]pentanoate Openeye Name: 3-hydroxypropyl 4-phenyl-2-[(1,1,5-trimethylpiperidin-1-ium-3-yl)methyl]pentanoate CAS Name: 4-phenyl-2-[(1,1,5-trimethyl-3-piperidin-1-iumyl)methyl]pentanoic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 4-phenyl-2-[(1,1,5-trimethylpiperidin-1-ium-3-yl)methyl]pentanoate Traditional Name: 4-phenyl-2-[(1,1,5-trimethylpiperidin-1-ium-3-yl)methyl]valeric acid 3-hydroxypropyl ester Formula: C23H38NO3+ MolecularWeight: 376.55272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[N+](C1)(C)C)CC(CC(C)C2=CC=CC=C2)C(=O)OCCCO

Isomeric SMILES

CC1CC(C[N+](C1)(C)C)CC(CC(C)C2=CC=CC=C2)C(=O)OCCCO

InChI

InChI=1S/C23H38NO3/c1-18-13-20(17-24(3,4)16-18)15-22(23(26)27-12-8-11-25)14-19(2)21-9-6-5-7-10-21/h5-7,9-10,18-20,22,25H,8,11-17H2,1-4H3/q+1