4-[1-[(2R,5S)-5-heptyl-1-methyl-pyrrolidin-2-yl]butyl]benzenecarbonitrile

Systemtic Name: 4-[1-[(2R,5S)-5-heptyl-1-methyl-pyrrolidin-2-yl]butyl]benzenecarbonitrile Openeye Name: 4-[1-[(2R,5S)-5-heptyl-1-methyl-pyrrolidin-2-yl]butyl]benzonitrile CAS Name: 4-[1-[(2R,5S)-5-heptyl-1-methyl-2-pyrrolidinyl]butyl]benzonitrile IUPAC Name: 4-[1-[(2R,5S)-5-heptyl-1-methylpyrrolidin-2-yl]butyl]benzonitrile Traditional Name: 4-[1-[(2R,5S)-5-heptyl-1-methyl-pyrrolidin-2-yl]butyl]benzonitrile Formula: C23H36N2 MolecularWeight: 340.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(N1C)C(CCC)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCC[C@H]1CC[C@@H](N1C)C(CCC)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C23H36N2/c1-4-6-7-8-9-11-21-16-17-23(25(21)3)22(10-5-2)20-14-12-19(18-24)13-15-20/h12-15,21-23H,4-11,16-17H2,1-3H3/t21-,22?,23+/m0/s1