N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl]-N-phenyl-butanamide

Systemtic Name: N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl]-N-phenyl-butanamide Openeye Name: N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl]-N-phenyl-butanamide CAS Name: N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl]-N-phenylbutanamide IUPAC Name: N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl]-N-phenylbutanamide Traditional Name: N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]oct-3-en-3-yl]-N-phenyl-butyramide Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC2CCC(C1)[NH+]2C)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)N(C1=C[C@H]2CC[C@@H](C1)[NH+]2C)C3=CC=CC=C3

InChI

InChI=1S/C18H24N2O/c1-3-7-18(21)20(14-8-5-4-6-9-14)17-12-15-10-11-16(13-17)19(15)2/h4-6,8-9,12,15-16H,3,7,10-11,13H2,1-2H3/p+1/t15-,16+/m1/s1