(4-acetamidophenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-(1-benzylpiperidin-1-ium-4-yl)ammonium CAS Name: (4-acetamidophenyl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-(1-benzylpiperidin-1-ium-4-yl)azanium Traditional Name: (4-acetamidobenzyl)-(1-benzylpiperidin-1-ium-4-yl)ammonium Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17(25)23-21-9-7-18(8-10-21)15-22-20-11-13-24(14-12-20)16-19-5-3-2-4-6-19/h2-10,20,22H,11-16H2,1H3,(H,23,25)/p+2