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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CCCOC)CC=C

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CCCOC)CC=C

InChI

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