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

Systemtic Name: cyclopropyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]azanium Openeye Name: cyclopropyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]ammonium CAS Name: cyclopropyl-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-[(4-nitrophenyl)methyl]ammonium IUPAC Name: cyclopropyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]azanium Traditional Name: cyclopropyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-(4-nitrobenzyl)ammonium Formula: C23H26N3O2+ MolecularWeight: 376.47144

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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-])C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CC3=CC=C(C=C3)[N+](=O)[O-])C4CC4

InChI

InChI=1S/C23H25N3O2/c1-18-4-2-5-20(14-18)16-24-13-3-6-23(24)17-25(21-11-12-21)15-19-7-9-22(10-8-19)26(27)28/h2-10,13-14,21H,11-12,15-17H2,1H3/p+1