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

Systemtic Name: 3-methoxypropyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]azanium Openeye Name: 3-methoxypropyl-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]ammonium CAS Name: 3-methoxypropyl-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-[(4-nitrophenyl)methyl]ammonium IUPAC Name: 3-methoxypropyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(4-nitrophenyl)methyl]azanium Traditional Name: 3-methoxypropyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]-(4-nitrobenzyl)ammonium Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-20-6-3-7-22(16-20)18-26-14-4-8-24(26)19-25(13-5-15-30-2)17-21-9-11-23(12-10-21)27(28)29/h3-4,6-12,14,16H,5,13,15,17-19H2,1-2H3/p+1