N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-4-yl]propanamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-4-yl]propanamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-oxidopyridin-1-ium-4-carbonyl)-4-piperidyl]propanamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-[1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-4-piperidinyl]propanamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]propanamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-3-[1-(1-oxidopyridin-1-ium-4-carbonyl)-4-piperidyl]propionamide Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)CCC2CCN(CC2)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)CCC2CCN(CC2)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C21H32N4O3/c1-2-23-11-3-4-19(23)16-22-20(26)6-5-17-7-12-24(13-8-17)21(27)18-9-14-25(28)15-10-18/h9-10,14-15,17,19H,2-8,11-13,16H2,1H3,(H,22,26)/p+1/t19-/m0/s1