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4-heptadecyl-1-methyl-pyridin-1-ium; naphthalene-2-sulfonate

4-heptadecyl-1-methyl-pyridin-1-ium; naphthalene-2-sulfonate

Systemtic Name:4-heptadecyl-1-methyl-pyridin-1-ium; naphthalene-2-sulfonate
Openeye Name:4-heptadecyl-1-methyl-pyridin-1-ium; naphthalene-2-sulfonate
CAS Name:4-heptadecyl-1-methylpyridin-1-ium; 2-naphthalenesulfonate
IUPAC Name:4-heptadecyl-1-methylpyridin-1-ium; naphthalene-2-sulfonate
Traditional Name:4-heptadecyl-1-methyl-pyridin-1-ium; naphthalene-2-sulfonate
Formula: C33H49NO3S
MolecularWeight: 539.81206
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=CC=[N+](C=C1)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=CC=[N+](C=C1)C.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C23H42N.C10H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24(2)22-20-23;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h19-22H,3-18H2,1-2H3;1-7H,(H,11,12,13)/q+1;/p-1


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