methyl (4S)-4-[4-[2-chloranyl-4-(cyclopentylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate

Systemtic Name: methyl (4S)-4-[4-[2-chloranyl-4-(cyclopentylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate Openeye Name: methyl (4S)-4-[4-[2-chloro-4-(cyclopentylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate CAS Name: (4S)-4-[4-[2-chloro-4-[(cyclopentylamino)-oxomethyl]phenoxy]-1-piperidin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl (4S)-4-[4-[2-chloro-4-(cyclopentylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]pentanoate Traditional Name: (4S)-4-[4-[2-chloro-4-(cyclopentylcarbamoyl)phenoxy]piperidin-1-ium-1-yl]valeric acid methyl ester Formula: C23H34ClN2O4+ MolecularWeight: 437.98006

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC3CCCC3)Cl

Isomeric SMILES

C[C@@H](CCC(=O)OC)[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)NC3CCCC3)Cl

InChI

InChI=1S/C23H33ClN2O4/c1-16(7-10-22(27)29-2)26-13-11-19(12-14-26)30-21-9-8-17(15-20(21)24)23(28)25-18-5-3-4-6-18/h8-9,15-16,18-19H,3-7,10-14H2,1-2H3,(H,25,28)/p+1/t16-/m0/s1