methyl-(1-phenethylpiperidin-1-ium-4-yl)-(phenylmethyl)azanium

Systemtic Name: methyl-(1-phenethylpiperidin-1-ium-4-yl)-(phenylmethyl)azanium Openeye Name: benzyl-methyl-(1-phenethylpiperidin-1-ium-4-yl)ammonium CAS Name: methyl-(1-phenethyl-4-piperidin-1-iumyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-(1-phenethylpiperidin-1-ium-4-yl)azanium Traditional Name: benzyl-methyl-(1-phenethylpiperidin-1-ium-4-yl)ammonium Formula: C21H30N2+2 MolecularWeight: 310.4763

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2/c1-22(18-20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3/p+2