[(2S)-2-chloranyl-3-(3-methylphenoxy)propyl]-propan-2-yl-azanium

Systemtic Name: [(2S)-2-chloranyl-3-(3-methylphenoxy)propyl]-propan-2-yl-azanium Openeye Name: [(2S)-2-chloro-3-(3-methylphenoxy)propyl]-isopropyl-ammonium CAS Name: [(2S)-2-chloro-3-(3-methylphenoxy)propyl]-propan-2-ylammonium IUPAC Name: [(2S)-2-chloro-3-(3-methylphenoxy)propyl]-propan-2-ylazanium Traditional Name: [(2S)-2-chloro-3-(3-methylphenoxy)propyl]-isopropyl-ammonium Formula: C13H21ClNO+ MolecularWeight: 242.76494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClNO/c1-10(2)15-8-12(14)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,15H,8-9H2,1-3H3/p+1/t12-/m0/s1