1-[(3-nitrophenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-amine

Systemtic Name: 1-[(3-nitrophenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-amine Openeye Name: N-benzyl-1-[(3-nitrophenyl)methyl]-N-phenethyl-piperidin-1-ium-4-amine CAS Name: 1-[(3-nitrophenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumamine IUPAC Name: N-benzyl-1-[(3-nitrophenyl)methyl]-N-phenethylpiperidin-1-ium-4-amine Traditional Name: benzyl-[1-(3-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)27-13-7-12-25(20-27)21-28-17-15-26(16-18-28)29(22-24-10-5-2-6-11-24)19-14-23-8-3-1-4-9-23/h1-13,20,26H,14-19,21-22H2/p+1