(3S)-1-[(3-methylphenyl)methyl]-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one

Systemtic Name: (3S)-1-[(3-methylphenyl)methyl]-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-3-hydroxy-1-(m-tolylmethyl)-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one CAS Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidinone IUPAC Name: (3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-(1,4-oxazepan-4-ium-4-ylmethyl)piperidin-2-one Traditional Name: (3S)-3-hydroxy-1-(3-methylbenzyl)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-2-piperidone Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH+]3CCCOCC3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH+]3CCCOCC3)O

InChI

InChI=1S/C19H28N2O3/c1-16-5-2-6-17(13-16)14-21-9-3-7-19(23,18(21)22)15-20-8-4-11-24-12-10-20/h2,5-6,13,23H,3-4,7-12,14-15H2,1H3/p+1/t19-/m0/s1