2-[[3-(4-iodophenyl)-1H-pyrrol-2-yl]methyl]-3,3,5-trimethyl-1-oxidanidyl-2,4-dihydropyrrol-1-ium

Systemtic Name: 2-[[3-(4-iodophenyl)-1H-pyrrol-2-yl]methyl]-3,3,5-trimethyl-1-oxidanidyl-2,4-dihydropyrrol-1-ium Openeye Name: 2-[[3-(4-iodophenyl)-1H-pyrrol-2-yl]methyl]-3,3,5-trimethyl-1-oxido-2,4-dihydropyrrol-1-ium CAS Name: 2-[[3-(4-iodophenyl)-1H-pyrrol-2-yl]methyl]-3,3,5-trimethyl-1-oxido-2,4-dihydropyrrol-1-ium IUPAC Name: 2-[[3-(4-iodophenyl)-1H-pyrrol-2-yl]methyl]-3,3,5-trimethyl-1-oxido-2,4-dihydropyrrol-1-ium Traditional Name: 2-[[3-(4-iodophenyl)-1H-pyrrol-2-yl]methyl]-3,3,5-trimethyl-1-oxido-1-pyrrolin-1-ium Formula: C18H21IN2O MolecularWeight: 408.27661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(C(C1)(C)C)CC2=C(C=CN2)C3=CC=C(C=C3)I)[O-]

Isomeric SMILES

CC1=[N+](C(C(C1)(C)C)CC2=C(C=CN2)C3=CC=C(C=C3)I)[O-]

InChI

InChI=1S/C18H21IN2O/c1-12-11-18(2,3)17(21(12)22)10-16-15(8-9-20-16)13-4-6-14(19)7-5-13/h4-9,17,20H,10-11H2,1-3H3