2,4,5-triethyl-1-methyl-1-[(E)-2-methylhex-4-enyl]-4-phenyl-piperidin-1-ium chloride

Systemtic Name: 2,4,5-triethyl-1-methyl-1-[(E)-2-methylhex-4-enyl]-4-phenyl-piperidin-1-ium chloride Openeye Name: 2,4,5-triethyl-1-methyl-1-[(E)-2-methylhex-4-enyl]-4-phenyl-piperidin-1-ium chloride CAS Name: 2,4,5-triethyl-1-methyl-1-[(E)-2-methylhex-4-enyl]-4-phenylpiperidin-1-ium chloride IUPAC Name: 2,4,5-triethyl-1-methyl-1-[(E)-2-methylhex-4-enyl]-4-phenylpiperidin-1-ium chloride Traditional Name: 2,4,5-triethyl-1-methyl-1-[(E)-2-methylhex-4-enyl]-4-phenyl-piperidin-1-ium chloride Formula: C25H42ClN MolecularWeight: 392.06068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(C[N+]1(C)CC(C)CC=CC)CC)(CC)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCC1CC(C(C[N+]1(C)CC(C)C/C=C/C)CC)(CC)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C25H42N.ClH/c1-7-11-15-21(5)19-26(6)20-22(8-2)25(10-4,18-24(26)9-3)23-16-13-12-14-17-23;/h7,11-14,16-17,21-22,24H,8-10,15,18-20H2,1-6H3;1H/q+1;/p-1/b11-7+;