1-[(2-nitrophenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-amine

Systemtic Name: 1-[(2-nitrophenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-amine Openeye Name: N-benzyl-1-[(2-nitrophenyl)methyl]-N-phenethyl-piperidin-1-ium-4-amine CAS Name: 1-[(2-nitrophenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumamine IUPAC Name: N-benzyl-1-[(2-nitrophenyl)methyl]-N-phenethylpiperidin-1-ium-4-amine Traditional Name: benzyl-[1-(2-nitrobenzyl)piperidin-1-ium-4-yl]-phenethyl-amine Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H31N3O2/c31-30(32)27-14-8-7-13-25(27)22-28-18-16-26(17-19-28)29(21-24-11-5-2-6-12-24)20-15-23-9-3-1-4-10-23/h1-14,26H,15-22H2/p+1