dodecyl sulfate; 2-[(1R)-1-phenylethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium

Systemtic Name: dodecyl sulfate; 2-[(1R)-1-phenylethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Openeye Name: dodecyl sulfate; 2-[(1R)-1-phenylethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium CAS Name: dodecyl sulfate; 2-[(1R)-1-phenylethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium IUPAC Name: dodecyl sulfate; 2-[(1R)-1-phenylethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Traditional Name: lauryl sulfate; 2-[(1R)-1-phenylethyl]-5,6,7,8-tetrahydroisoquinolin-2-ium Formula: C29H45NO4S MolecularWeight: 503.7369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)[O-].CC(C1=CC=CC=C1)[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)[O-].C[C@H](C1=CC=CC=C1)[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C17H20N.C12H26O4S/c1-14(15-7-3-2-4-8-15)18-12-11-16-9-5-6-10-17(16)13-18;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-4,7-8,11-14H,5-6,9-10H2,1H3;2-12H2,1H3,(H,13,14,15)/q+1;/p-1/t14-;/m1./s1