methyl (4S)-4-[4-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]piperidin-1-ium-1-yl]pentanoate

Systemtic Name: methyl (4S)-4-[4-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]piperidin-1-ium-1-yl]pentanoate Openeye Name: methyl (4S)-4-[4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidin-1-ium-1-yl]pentanoate CAS Name: (4S)-4-[4-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-1-piperidin-1-iumyl]pentanoic acid methyl ester IUPAC Name: methyl (4S)-4-[4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidin-1-ium-1-yl]pentanoate Traditional Name: (4S)-4-[4-[3-keto-3-(4-phenylpiperazino)propyl]piperidin-1-ium-1-yl]valeric acid methyl ester Formula: C24H38N3O3+ MolecularWeight: 416.57682

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)[NH+]1CCC(CC1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CCC(=O)OC)[NH+]1CCC(CC1)CCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C24H37N3O3/c1-20(8-11-24(29)30-2)25-14-12-21(13-15-25)9-10-23(28)27-18-16-26(17-19-27)22-6-4-3-5-7-22/h3-7,20-21H,8-19H2,1-2H3/p+1/t20-/m0/s1