(3S)-1-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-[(5-chloro-2-thienyl)methyl]-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(5-chloro-2-thiophenyl)methyl]-4-piperidinyl]-N-cyclopropyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-[(5-chloro-2-thienyl)methyl]-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Formula: C19H29ClN3OS+ MolecularWeight: 382.97106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=CC=C(S3)Cl)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CC=C(S3)Cl)C(=O)NC4CC4

InChI

InChI=1S/C19H28ClN3OS/c20-18-6-5-17(25-18)13-22-10-7-16(8-11-22)23-9-1-2-14(12-23)19(24)21-15-3-4-15/h5-6,14-16H,1-4,7-13H2,(H,21,24)/p+1/t14-/m0/s1