3-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(5-chloro-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-1-(4-ethyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]-1-(4-ethylpiperazino)propan-1-one Formula: C19H31ClN3OS+ MolecularWeight: 384.98694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCC2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C19H30ClN3OS/c1-2-21-11-13-23(14-12-21)19(24)6-3-16-7-9-22(10-8-16)15-17-4-5-18(20)25-17/h4-5,16H,2-3,6-15H2,1H3/p+1