3-[(3-methylphenyl)methyl-(4-propan-2-ylphenyl)amino]propylazanium

Systemtic Name: 3-[(3-methylphenyl)methyl-(4-propan-2-ylphenyl)amino]propylazanium Openeye Name: 3-[4-isopropyl-N-(m-tolylmethyl)anilino]propylammonium CAS Name: 3-[N-[(3-methylphenyl)methyl]-4-propan-2-ylanilino]propylammonium IUPAC Name: 3-[N-[(3-methylphenyl)methyl]-4-propan-2-ylanilino]propylazanium Traditional Name: 3-(4-isopropyl-N-(3-methylbenzyl)anilino)propylammonium Formula: C20H29N2+ MolecularWeight: 297.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(CCC[NH3+])C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN(CCC[NH3+])C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H28N2/c1-16(2)19-8-10-20(11-9-19)22(13-5-12-21)15-18-7-4-6-17(3)14-18/h4,6-11,14,16H,5,12-13,15,21H2,1-3H3/p+1