3-methylbutyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]azanium

Systemtic Name: 3-methylbutyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]azanium Openeye Name: isopentyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]ammonium CAS Name: 3-methylbutyl-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 3-methylbutyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]azanium Traditional Name: isoamyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-(4-nitrobenzyl)ammonium Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CCC(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CCC(C)C)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O2/c1-20(2)13-15-26(17-22-9-11-24(12-10-22)28(29)30)19-25-8-5-14-27(25)18-23-7-4-6-21(3)16-23/h4-12,14,16,20H,13,15,17-19H2,1-3H3/p+1