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16-methylheptadecanoic acid; 3-(1-methylpyrrolidin-2-yl)pyridine

16-methylheptadecanoic acid; 3-(1-methylpyrrolidin-2-yl)pyridine

Systemtic Name:16-methylheptadecanoic acid; 3-(1-methylpyrrolidin-2-yl)pyridine
Openeye Name:16-methylheptadecanoic acid; 3-(1-methylpyrrolidin-2-yl)pyridine
CAS Name:16-methylheptadecanoic acid; 3-(1-methyl-2-pyrrolidinyl)pyridine
IUPAC Name:16-methylheptadecanoic acid; 3-(1-methylpyrrolidin-2-yl)pyridine
Traditional Name:16-methylheptadecanoic acid; nicotine
Formula: C28H50N2O2
MolecularWeight: 446.7088
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)O.CN1CCCC1C2=CN=CC=C2


Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)O.CN1CCCC1C2=CN=CC=C2


InChI

InChI=1S/C18H36O2.C10H14N2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h17H,3-16H2,1-2H3,(H,19,20);2,4,6,8,10H,3,5,7H2,1H3


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