[4-[[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylazaniumyl]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylazaniumyl]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methylammonio]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylammonio]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylazaniumyl]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methylammonio]methyl]benzyl]-dimethyl-ammonium Formula: C21H35N3+2 MolecularWeight: 329.5227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C[NH2+]CC2=CC=C(C=C2)C[NH+](C)C

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C[NH2+]CC2=CC=C(C=C2)C[NH+](C)C

InChI

InChI=1S/C21H33N3/c1-16(2)14-24-17(3)11-21(18(24)4)13-22-12-19-7-9-20(10-8-19)15-23(5)6/h7-11,16,22H,12-15H2,1-6H3/p+2