(3S)-3-(azocan-1-ium-1-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-piperidin-2-one

Systemtic Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one CAS Name: (3S)-3-(1-azocan-1-iumylmethyl)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-piperidinone IUPAC Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one Traditional Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-3-hydroxy-1-m-anisyl-2-piperidone Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCC(C2=O)(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C21H32N2O3/c1-26-19-10-7-9-18(15-19)16-23-14-8-11-21(25,20(23)24)17-22-12-5-3-2-4-6-13-22/h7,9-10,15,25H,2-6,8,11-14,16-17H2,1H3/p+1/t21-/m0/s1