1-(4-phenylpiperazin-1-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 1-(4-phenylpiperazin-1-yl)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propan-1-one CAS Name: 1-(4-phenyl-1-piperazinyl)-3-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 1-(4-phenylpiperazino)-3-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]propan-1-one Formula: C22H34N3OS+ MolecularWeight: 388.58986

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4CCSC4

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H33N3OS/c26-22(25-15-13-24(14-16-25)20-4-2-1-3-5-20)7-6-19-8-11-23(12-9-19)21-10-17-27-18-21/h1-5,19,21H,6-18H2/p+1/t21-/m0/s1