4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-1-ium-1-yl]pentyl-diethyl-(phenylmethyl)azanium

Systemtic Name: 4-[2,5-dimethyl-1-(phenylmethyl)pyrrol-1-ium-1-yl]pentyl-diethyl-(phenylmethyl)azanium Openeye Name: benzyl-[4-(1-benzyl-2,5-dimethyl-pyrrol-1-ium-1-yl)pentyl]-diethyl-ammonium CAS Name: 4-[2,5-dimethyl-1-(phenylmethyl)-1-pyrrol-1-iumyl]pentyl-diethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[4-(1-benzyl-2,5-dimethylpyrrol-1-ium-1-yl)pentyl]-diethylazanium Traditional Name: benzyl-[4-(1-benzyl-2,5-dimethyl-pyrrol-1-ium-1-yl)pentyl]-diethyl-ammonium Formula: C29H42N2+2 MolecularWeight: 418.65718

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CCCC(C)[N+]1(C(=CC=C1C)C)CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC[N+](CC)(CCCC(C)[N+]1(C(=CC=C1C)C)CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C29H42N2/c1-6-30(7-2,23-28-16-10-8-11-17-28)22-14-15-25(3)31(26(4)20-21-27(31)5)24-29-18-12-9-13-19-29/h8-13,16-21,25H,6-7,14-15,22-24H2,1-5H3/q+2