N-(3-methylbutyl)-1-[4-methyl-2-(phenylmethyl)pentyl]-2-propyl-piperidin-1-ium-1-amine

Systemtic Name: N-(3-methylbutyl)-1-[4-methyl-2-(phenylmethyl)pentyl]-2-propyl-piperidin-1-ium-1-amine Openeye Name: 1-(2-benzyl-4-methyl-pentyl)-N-isopentyl-2-propyl-piperidin-1-ium-1-amine CAS Name: N-(3-methylbutyl)-1-[4-methyl-2-(phenylmethyl)pentyl]-2-propyl-1-piperidin-1-iumamine IUPAC Name: 1-(2-benzyl-4-methylpentyl)-N-(3-methylbutyl)-2-propylpiperidin-1-ium-1-amine Traditional Name: [1-(2-benzyl-4-methyl-pentyl)-2-propyl-piperidin-1-ium-1-yl]-isoamyl-amine Formula: C26H47N2+ MolecularWeight: 387.66478

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCCC[N+]1(CC(CC2=CC=CC=C2)CC(C)C)NCCC(C)C

Isomeric SMILES

CCCC1CCCC[N+]1(CC(CC2=CC=CC=C2)CC(C)C)NCCC(C)C

InChI

InChI=1S/C26H47N2/c1-6-12-26-15-10-11-18-28(26,27-17-16-22(2)3)21-25(19-23(4)5)20-24-13-8-7-9-14-24/h7-9,13-14,22-23,25-27H,6,10-12,15-21H2,1-5H3/q+1