[(2S)-butan-2-yl]-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]azanium Openeye Name: 2-[4-(1-methyl-1-phenyl-ethyl)phenoxy]ethyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]azanium Traditional Name: 2-(4-cumylphenoxy)ethyl-[(1S)-1-methylpropyl]ammonium Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[NH2+]CCOC1=CC=C(C=C1)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C21H29NO/c1-5-17(2)22-15-16-23-20-13-11-19(12-14-20)21(3,4)18-9-7-6-8-10-18/h6-14,17,22H,5,15-16H2,1-4H3/p+1/t17-/m0/s1