[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]-[(3S)-1-thiophen-2-ylcarbonylpiperidin-3-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[(3S)-1-(thiophene-2-carbonyl)-3-piperidyl]methanone CAS Name: [(3S)-1-[oxo(thiophen-2-yl)methyl]-3-piperidinyl]-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-[(3S)-1-(2-thenoyl)-3-piperidyl]methanone Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)C(=O)N3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2S/c27-22(20-9-4-12-26(18-20)23(28)21-10-5-16-29-21)25-13-6-11-24(14-15-25)17-19-7-2-1-3-8-19/h1-3,5,7-8,10,16,20H,4,6,9,11-15,17-18H2/p+1/t20-/m0/s1