ethyl 4-[(3S)-1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[(5-chloro-2-thiophenyl)methyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H27ClN3O2S+ MolecularWeight: 372.93318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H26ClN3O2S/c1-2-23-17(22)21-10-8-20(9-11-21)14-4-3-7-19(12-14)13-15-5-6-16(18)24-15/h5-6,14H,2-4,7-13H2,1H3/p+1/t14-/m0/s1