4-butan-2-yl-N,6-dimethyl-5-(phenylmethyl)heptanenitrilium

Systemtic Name: 4-butan-2-yl-N,6-dimethyl-5-(phenylmethyl)heptanenitrilium Openeye Name: 5-benzyl-N,6-dimethyl-4-sec-butyl-heptanenitrilium CAS Name: 4-butan-2-yl-N,6-dimethyl-5-(phenylmethyl)heptanenitrilium IUPAC Name: 5-benzyl-4-butan-2-yl-N,6-dimethylheptanenitrilium Traditional Name: 5-benzyl-N,6-dimethyl-4-sec-butyl-enanthonitrilium Formula: C20H32N+ MolecularWeight: 286.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCC#[N+]C)C(CC1=CC=CC=C1)C(C)C

Isomeric SMILES

CCC(C)C(CCC#[N+]C)C(CC1=CC=CC=C1)C(C)C

InChI

InChI=1S/C20H32N/c1-6-17(4)19(13-10-14-21-5)20(16(2)3)15-18-11-8-7-9-12-18/h7-9,11-12,16-17,19-20H,6,10,13,15H2,1-5H3/q+1