[1-(3-methylbutanoyl)piperidin-4-yl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [1-(3-methylbutanoyl)piperidin-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-(3-methylbutanoyl)-4-piperidyl]-phenethyl-ammonium CAS Name: [1-(3-methyl-1-oxobutyl)-4-piperidinyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-(3-methylbutanoyl)piperidin-4-yl]-phenethylazanium Traditional Name: benzyl-(1-isovaleryl-4-piperidyl)-phenethyl-ammonium Formula: C25H35N2O+ MolecularWeight: 379.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O/c1-21(2)19-25(28)26-17-14-24(15-18-26)27(20-23-11-7-4-8-12-23)16-13-22-9-5-3-6-10-22/h3-12,21,24H,13-20H2,1-2H3/p+1