dibutyl-[3-[[1-[(2-chlorophenyl)methyl]-2-methyl-indol-3-yl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[1-[(2-chlorophenyl)methyl]-2-methyl-indol-3-yl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[1-[(2-chlorophenyl)methyl]-2-methyl-indol-3-yl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[1-[(2-chlorophenyl)methyl]-2-methyl-3-indolyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[1-(2-chlorobenzyl)-2-methyl-indol-3-yl]methylammonio]propyl]ammonium Formula: C28H42ClN3+2 MolecularWeight: 456.10618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C28H40ClN3/c1-4-6-18-31(19-7-5-2)20-12-17-30-21-26-23(3)32(28-16-11-9-14-25(26)28)22-24-13-8-10-15-27(24)29/h8-11,13-16,30H,4-7,12,17-22H2,1-3H3/p+2