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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCC[NH3+])CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCC[NH3+])CC2=CC=C(C=C2)C(C)C

InChI

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