1-[(Z)-4-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]-1-nitro-but-1-en-2-yl]piperidin-1-ium-1-amine

Systemtic Name: 1-[(Z)-4-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]-1-nitro-but-1-en-2-yl]piperidin-1-ium-1-amine Openeye Name: 1-[(1Z)-3-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]-1-(nitromethylene)propyl]piperidin-1-ium-1-amine CAS Name: 1-[(Z)-4-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]-1-nitrobut-1-en-2-yl]-1-piperidin-1-iumamine IUPAC Name: 1-[(Z)-4-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]-1-nitrobut-1-en-2-yl]piperidin-1-ium-1-amine Traditional Name: [5-[[[(Z)-3-(1-aminopiperidin-1-ium-1-yl)-4-nitro-but-3-enyl]thio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C17H29N4O3S+ MolecularWeight: 369.50216

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCC(=C[N+](=O)[O-])[N+]2(CCCCC2)N

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCC/C(=C/[N+](=O)[O-])/[N+]2(CCCCC2)N

InChI

InChI=1S/C17H29N4O3S/c1-19(2)13-16-6-7-17(24-16)14-25-11-8-15(12-20(22)23)21(18)9-4-3-5-10-21/h6-7,12H,3-5,8-11,13-14,18H2,1-2H3/q+1/b15-12-