cyclopentyl-[(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: cyclopentyl-[(2S)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: cyclopentyl-[(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium CAS Name: cyclopentyl-[(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: cyclopentyl-[(2S)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium Traditional Name: cyclopentyl-[(2S)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH2+]C2CCCC2)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](C[NH2+]C2CCCC2)O)C(C)C

InChI

InChI=1S/C18H29NO2/c1-13(2)18-9-8-17(10-14(18)3)21-12-16(20)11-19-15-6-4-5-7-15/h8-10,13,15-16,19-20H,4-7,11-12H2,1-3H3/p+1/t16-/m0/s1