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

Systemtic Name: phenethyl-(1-phenethylpiperidin-1-ium-4-yl)-(phenylmethyl)azanium Openeye Name: benzyl-phenethyl-(1-phenethylpiperidin-1-ium-4-yl)ammonium CAS Name: phenethyl-(1-phenethyl-4-piperidin-1-iumyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-phenethyl-(1-phenethylpiperidin-1-ium-4-yl)azanium Traditional Name: benzyl-phenethyl-(1-phenethylpiperidin-1-ium-4-yl)ammonium Formula: C28H36N2+2 MolecularWeight: 400.59884

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H34N2/c1-4-10-25(11-5-1)16-20-29-21-18-28(19-22-29)30(24-27-14-8-3-9-15-27)23-17-26-12-6-2-7-13-26/h1-15,28H,16-24H2/p+2