methyl-(phenylmethyl)-[3-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-[[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]carbonylamino]propyl]azanium Openeye Name: benzyl-methyl-[3-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-[(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[(3S)-1-(thiophene-2-carbonyl)piperidine-3-carbonyl]amino]propyl]azanium Traditional Name: benzyl-methyl-[3-[[(3S)-1-(2-thenoyl)nipecotoyl]amino]propyl]ammonium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1CCCN(C1)C(=O)C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2S/c1-24(16-18-8-3-2-4-9-18)13-7-12-23-21(26)19-10-5-14-25(17-19)22(27)20-11-6-15-28-20/h2-4,6,8-9,11,15,19H,5,7,10,12-14,16-17H2,1H3,(H,23,26)/p+1/t19-/m0/s1