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

Systemtic Name: (4-ethylphenyl)methyl-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(4-ethylphenyl)methyl]ammonium CAS Name: (4-ethylphenyl)methyl-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(4-ethylphenyl)methyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(4-ethylbenzyl)ammonium Formula: C21H30N2+2 MolecularWeight: 310.4763

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2/c1-2-18-8-10-19(11-9-18)16-22-21-12-14-23(15-13-21)17-20-6-4-3-5-7-20/h3-11,21-22H,2,12-17H2,1H3/p+2