[(2S)-2-oxidanylpropyl]-[2-[(4-propan-2-ylphenyl)methylazaniumyl]ethyl]azanium

Systemtic Name: [(2S)-2-oxidanylpropyl]-[2-[(4-propan-2-ylphenyl)methylazaniumyl]ethyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[2-[(4-isopropylphenyl)methylammonio]ethyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[2-[(4-propan-2-ylphenyl)methylammonio]ethyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[2-[(4-propan-2-ylphenyl)methylazaniumyl]ethyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[2-[(4-isopropylbenzyl)ammonio]ethyl]ammonium Formula: C15H28N2O+2 MolecularWeight: 252.39562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH2+]CC[NH2+]CC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C15H26N2O/c1-12(2)15-6-4-14(5-7-15)11-17-9-8-16-10-13(3)18/h4-7,12-13,16-18H,8-11H2,1-3H3/p+2/t13-/m0/s1