1-methyl-N-[[1-(2,4,6-trimethylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-amine

Systemtic Name: 1-methyl-N-[[1-(2,4,6-trimethylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-amine Openeye Name: 1-methyl-N-[[1-(2,4,6-trimethylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-amine CAS Name: 1-methyl-N-[[1-(2,4,6-trimethylphenyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumamine IUPAC Name: 1-methyl-N-[[1-(2,4,6-trimethylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-amine Traditional Name: (1-mesitylpyrrol-2-yl)methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C20H30N3+ MolecularWeight: 312.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=CC=C2CNC3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=CC=C2CNC3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H29N3/c1-15-12-16(2)20(17(3)13-15)23-9-5-6-19(23)14-21-18-7-10-22(4)11-8-18/h5-6,9,12-13,18,21H,7-8,10-11,14H2,1-4H3/p+1