[5-[[(2S)-1,4-dioxan-2-yl]methylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [5-[[(2S)-1,4-dioxan-2-yl]methylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [5-[[(2S)-1,4-dioxan-2-yl]methylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [5-[[[(2S)-1,4-dioxan-2-yl]methylamino]-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [5-[[(2S)-1,4-dioxan-2-yl]methylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [5-[[(2S)-1,4-dioxan-2-yl]methylcarbamoyl]-6-keto-1H-pyridin-2-yl]methyl-methyl-(3-thenyl)ammonium Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC2=CC=C(C(=O)N2)C(=O)NCC3COCCO3

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC2=CC=C(C(=O)N2)C(=O)NC[C@H]3COCCO3

InChI

InChI=1S/C18H23N3O4S/c1-21(9-13-4-7-26-12-13)10-14-2-3-16(18(23)20-14)17(22)19-8-15-11-24-5-6-25-15/h2-4,7,12,15H,5-6,8-11H2,1H3,(H,19,22)(H,20,23)/p+1/t15-/m0/s1