(3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-3-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]piperidin-2-one

Systemtic Name: (3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-3-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]piperidin-2-one Openeye Name: (3S)-3-hydroxy-3-[(4-isopropylpiperidin-1-ium-1-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-2-one CAS Name: (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(4-propan-2-yl-1-piperidin-1-iumyl)methyl]-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(4-propan-2-ylpiperidin-1-ium-1-yl)methyl]piperidin-2-one Traditional Name: (3S)-3-hydroxy-3-[(4-isopropylpiperidin-1-ium-1-yl)methyl]-1-m-anisyl-2-piperidone Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC[NH+](CC1)CC2(CCCN(C2=O)CC3=CC(=CC=C3)OC)O

Isomeric SMILES

CC(C)C1CC[NH+](CC1)C[C@]2(CCCN(C2=O)CC3=CC(=CC=C3)OC)O

InChI

InChI=1S/C22H34N2O3/c1-17(2)19-8-12-23(13-9-19)16-22(26)10-5-11-24(21(22)25)15-18-6-4-7-20(14-18)27-3/h4,6-7,14,17,19,26H,5,8-13,15-16H2,1-3H3/p+1/t22-/m0/s1