thiophen-3-ylmethyl 4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate

Systemtic Name: thiophen-3-ylmethyl 4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate Openeye Name: 3-thienylmethyl 4-[(4-pyridylamino)methyl]piperidine-1-carboxylate CAS Name: 4-[(pyridin-4-ylamino)methyl]-1-piperidinecarboxylic acid 3-thiophenylmethyl ester IUPAC Name: thiophen-3-ylmethyl 4-[(pyridin-4-ylamino)methyl]piperidine-1-carboxylate Traditional Name: 4-[(4-pyridylamino)methyl]piperidine-1-carboxylic acid 3-thenyl ester Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=CC=NC=C2)C(=O)OCC3=CSC=C3

Isomeric SMILES

C1CN(CCC1CNC2=CC=NC=C2)C(=O)OCC3=CSC=C3

InChI

InChI=1S/C17H21N3O2S/c21-17(22-12-15-5-10-23-13-15)20-8-3-14(4-9-20)11-19-16-1-6-18-7-2-16/h1-2,5-7,10,13-14H,3-4,8-9,11-12H2,(H,18,19)