ethyl 1-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanoyl]isonipecotic acid ethyl ester Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H31N3O3S/c1-3-29-23(28)18-10-14-26(15-11-18)22(27)16(2)25-12-8-17(9-13-25)21-24-19-6-4-5-7-20(19)30-21/h4-7,16-18H,3,8-15H2,1-2H3/p+1/t16-/m0/s1