[(3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-methyl-propan-2-yl-azanium

Systemtic Name: [(3S)-1-[(3-methoxyphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-methyl-propan-2-yl-azanium Openeye Name: [(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidyl]methyl-isopropyl-methyl-ammonium CAS Name: [(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxo-3-piperidinyl]methyl-methyl-propan-2-ylammonium IUPAC Name: [(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]methyl-methyl-propan-2-ylazanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-m-anisyl-3-piperidyl]methyl-isopropyl-methyl-ammonium Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC1(CCCN(C1=O)CC2=CC(=CC=C2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@]1(CCCN(C1=O)CC2=CC(=CC=C2)OC)O

InChI

InChI=1S/C18H28N2O3/c1-14(2)19(3)13-18(22)9-6-10-20(17(18)21)12-15-7-5-8-16(11-15)23-4/h5,7-8,11,14,22H,6,9-10,12-13H2,1-4H3/p+1/t18-/m0/s1