3-[(2S)-2-ethylpiperidin-1-yl]carbonyl-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)pyridin-4-one

Systemtic Name: 3-[(2S)-2-ethylpiperidin-1-yl]carbonyl-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)pyridin-4-one Openeye Name: 3-[(2S)-2-ethylpiperidine-1-carbonyl]-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)pyridin-4-one CAS Name: 3-[[(2S)-2-ethyl-1-piperidinyl]-oxomethyl]-6-methyl-2-[(4-methylphenoxy)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-4-pyridinone IUPAC Name: 3-[(2S)-2-ethylpiperidine-1-carbonyl]-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)pyridin-4-one Traditional Name: 3-[(2S)-2-ethylpiperidine-1-carbonyl]-6-methyl-2-[(4-methylphenoxy)methyl]-1-(2-morpholin-4-ium-4-ylethyl)-4-pyridone Formula: C28H40N3O4+ MolecularWeight: 482.6349

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C2=C(N(C(=CC2=O)C)CC[NH+]3CCOCC3)COC4=CC=C(C=C4)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C2=C(N(C(=CC2=O)C)CC[NH+]3CCOCC3)COC4=CC=C(C=C4)C

InChI

InChI=1S/C28H39N3O4/c1-4-23-7-5-6-12-31(23)28(33)27-25(20-35-24-10-8-21(2)9-11-24)30(22(3)19-26(27)32)14-13-29-15-17-34-18-16-29/h8-11,19,23H,4-7,12-18,20H2,1-3H3/p+1/t23-/m0/s1