3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-piperidin-1-yl-propanoate

Systemtic Name: 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-2-piperidin-1-yl-propanoate Openeye Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-2-(1-piperidyl)propanoate CAS Name: 3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxy-2-(1-piperidinyl)propanoate IUPAC Name: 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-hydroxy-2-piperidin-1-ylpropanoate Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-2-piperidino-propionate Formula: C19H29N2O3S- MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC=C(S2)C(C(C(=O)[O-])N3CCCCC3)O

Isomeric SMILES

C1CCCN(CC1)CC2=CC=C(S2)C(C(C(=O)[O-])N3CCCCC3)O

InChI

InChI=1S/C19H30N2O3S/c22-18(17(19(23)24)21-12-6-3-7-13-21)16-9-8-15(25-16)14-20-10-4-1-2-5-11-20/h8-9,17-18,22H,1-7,10-14H2,(H,23,24)/p-1