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

Systemtic Name: 3-[1-[(5-chloranylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(5-chloro-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[(5-chloro-2-thienyl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C23H31ClN3OS+ MolecularWeight: 433.02974

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C23H30ClN3OS/c24-22-8-7-21(29-22)18-25-12-10-19(11-13-25)6-9-23(28)27-16-14-26(15-17-27)20-4-2-1-3-5-20/h1-5,7-8,19H,6,9-18H2/p+1