(3S)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-1-phenethyl-piperidin-2-one

Systemtic Name: (3S)-3-(1,4-oxazepan-4-ium-4-ylmethyl)-3-oxidanyl-1-phenethyl-piperidin-2-one Openeye Name: (3S)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-1-phenethyl-piperidin-2-one CAS Name: (3S)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-1-phenethyl-2-piperidinone IUPAC Name: (3S)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-1-phenethylpiperidin-2-one Traditional Name: (3S)-3-hydroxy-3-(1,4-oxazepan-4-ium-4-ylmethyl)-1-phenethyl-2-piperidone Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)N(C1)CCC2=CC=CC=C2)(C[NH+]3CCCOCC3)O

Isomeric SMILES

C1C[C@@](C(=O)N(C1)CCC2=CC=CC=C2)(C[NH+]3CCCOCC3)O

InChI

InChI=1S/C19H28N2O3/c22-18-19(23,16-20-10-5-14-24-15-13-20)9-4-11-21(18)12-8-17-6-2-1-3-7-17/h1-3,6-7,23H,4-5,8-16H2/p+1/t19-/m0/s1