(2S)-2-acetamido-N-[1-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-acetamido-N-[1-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide Openeye Name: (2S)-2-acetamido-N-[1-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)-4-piperidyl]-3-(3-methoxyphenyl)propanamide CAS Name: (2S)-2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)-4-piperidinyl]-3-(3-methoxyphenyl)propanamide IUPAC Name: (2S)-2-acetamido-N-[1-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)piperidin-4-yl]-3-(3-methoxyphenyl)propanamide Traditional Name: (2S)-2-acetamido-N-[1-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)-4-piperidyl]-3-(3-methoxyphenyl)propionamide Formula: C25H32N5O3+ MolecularWeight: 450.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CCC(CC2)NC(=O)C(CC3=CC(=CC=C3)OC)NC(=O)C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CCC(CC2)NC(=O)[C@H](CC3=CC(=CC=C3)OC)NC(=O)C)C

InChI

InChI=1S/C25H31N5O3/c1-16-12-17(2)27-24(22(16)15-26)30-10-8-20(9-11-30)29-25(32)23(28-18(3)31)14-19-6-5-7-21(13-19)33-4/h5-7,12-13,20,23H,8-11,14H2,1-4H3,(H,28,31)(H,29,32)/p+1/t23-/m0/s1