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

Systemtic Name: 3-methoxypropyl-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-(3-methoxypropyl)-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: 3-methoxypropyl-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: 3-methoxypropyl-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enylazanium Traditional Name: allyl-(3-methoxypropyl)-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C20H29N2O+ MolecularWeight: 313.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=C2C[NH+](CCCOC)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C2C[NH+](CCCOC)CC=C

InChI

InChI=1S/C20H28N2O/c1-4-12-21(13-6-15-23-3)17-20-7-5-14-22(20)16-19-10-8-18(2)9-11-19/h4-5,7-11,14H,1,6,12-13,15-17H2,2-3H3/p+1