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

Systemtic Name: cyclohexyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]azanium Openeye Name: cyclohexyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]ammonium CAS Name: cyclohexyl-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-[(4-nitrophenyl)methyl]ammonium IUPAC Name: cyclohexyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]azanium Traditional Name: cyclohexyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-(4-nitrobenzyl)ammonium Formula: C26H32N3O2+ MolecularWeight: 418.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CC3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CC3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4

InChI

InChI=1S/C26H31N3O2/c1-21-7-5-8-23(17-21)19-27-16-6-11-26(27)20-28(24-9-3-2-4-10-24)18-22-12-14-25(15-13-22)29(30)31/h5-8,11-17,24H,2-4,9-10,18-20H2,1H3/p+1