methyl (4S)-4-[4-(4-piperidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]pentanoate

Systemtic Name: methyl (4S)-4-[4-(4-piperidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]pentanoate Openeye Name: methyl (4S)-4-[4-[4-(piperidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]pentanoate CAS Name: (4S)-4-[4-[4-[oxo(1-piperidinyl)methyl]phenoxy]-1-piperidin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl (4S)-4-[4-[4-(piperidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]pentanoate Traditional Name: (4S)-4-[4-[4-(piperidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]valeric acid methyl ester Formula: C23H35N2O4+ MolecularWeight: 403.535

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](CCC(=O)OC)[NH+]1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C23H34N2O4/c1-18(6-11-22(26)28-2)24-16-12-21(13-17-24)29-20-9-7-19(8-10-20)23(27)25-14-4-3-5-15-25/h7-10,18,21H,3-6,11-17H2,1-2H3/p+1/t18-/m0/s1