4-phenyl-N-[2-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 4-phenyl-N-[2-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 4-phenyl-N-[2-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 4-phenyl-N-[2-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 4-phenyl-N-[2-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 4-phenyl-N-[2-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]pyrazol-3-yl]butyramide Formula: C22H31N4OS+ MolecularWeight: 399.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)C4CCSC4

Isomeric SMILES

C1CSC[C@H]1[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H30N4OS/c27-22(8-4-7-18-5-2-1-3-6-18)24-21-9-13-23-26(21)19-10-14-25(15-11-19)20-12-16-28-17-20/h1-3,5-6,9,13,19-20H,4,7-8,10-12,14-17H2,(H,24,27)/p+1/t20-/m0/s1