N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[[1-(m-tolyl)pyrrol-2-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: [1-(m-tolyl)pyrrol-2-yl]methyl-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C18H26N3+ MolecularWeight: 284.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC=C2CNCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC=C2CNCC[NH+]3CCCC3

InChI

InChI=1S/C18H25N3/c1-16-6-4-7-17(14-16)21-12-5-8-18(21)15-19-9-13-20-10-2-3-11-20/h4-8,12,14,19H,2-3,9-11,13,15H2,1H3/p+1