N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]-1-(2-nitrophenyl)isonipecotamide Formula: C22H30N5O3S+ MolecularWeight: 444.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3S/c1-16-5-4-10-25(13-16)14-18-15-31-22(23-18)24-21(28)17-8-11-26(12-9-17)19-6-2-3-7-20(19)27(29)30/h2-3,6-7,15-17H,4-5,8-14H2,1H3,(H,23,24,28)/p+1/t16-/m0/s1