bis(3,4-dimethoxyphenyl)-methyl-[1-[(phenylmethyl)amino]butan-2-yl]azanium

Systemtic Name: bis(3,4-dimethoxyphenyl)-methyl-[1-[(phenylmethyl)amino]butan-2-yl]azanium Openeye Name: 1-[(benzylamino)methyl]propyl-bis(3,4-dimethoxyphenyl)-methyl-ammonium CAS Name: bis(3,4-dimethoxyphenyl)-methyl-[1-[(phenylmethyl)amino]butan-2-yl]ammonium IUPAC Name: 1-(benzylamino)butan-2-yl-bis(3,4-dimethoxyphenyl)-methylazanium Traditional Name: 1-[(benzylamino)methyl]propyl-bis(3,4-dimethoxyphenyl)-methyl-ammonium Formula: C28H37N2O4+ MolecularWeight: 465.60438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCC1=CC=CC=C1)[N+](C)(C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(CNCC1=CC=CC=C1)[N+](C)(C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H37N2O4/c1-7-22(20-29-19-21-11-9-8-10-12-21)30(2,23-13-15-25(31-3)27(17-23)33-5)24-14-16-26(32-4)28(18-24)34-6/h8-18,22,29H,7,19-20H2,1-6H3/q+1