methyl-[(3S)-2-methylheptan-3-yl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: methyl-[(3S)-2-methylheptan-3-yl]-[(1R)-1-phenylethyl]azanium Openeye Name: [(1S)-1-isopropylpentyl]-methyl-[(1R)-1-phenylethyl]ammonium CAS Name: methyl-[(3S)-2-methylheptan-3-yl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: methyl-[(3S)-2-methylheptan-3-yl]-[(1R)-1-phenylethyl]azanium Traditional Name: [(1S)-1-isopropylpentyl]-methyl-[(1R)-1-phenylethyl]ammonium Formula: C17H30N+ MolecularWeight: 248.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)C)[NH+](C)C(C)C1=CC=CC=C1

Isomeric SMILES

CCCC[C@@H](C(C)C)[NH+](C)[C@H](C)C1=CC=CC=C1

InChI

InChI=1S/C17H29N/c1-6-7-13-17(14(2)3)18(5)15(4)16-11-9-8-10-12-16/h8-12,14-15,17H,6-7,13H2,1-5H3/p+1/t15-,17+/m1/s1