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

Systemtic Name: dibutyl-[3-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[1-[(2-chlorophenyl)methyl]-3-indolyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[1-(2-chlorobenzyl)indol-3-yl]methylammonio]propyl]ammonium Formula: C27H40ClN3+2 MolecularWeight: 442.0796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38ClN3/c1-3-5-17-30(18-6-4-2)19-11-16-29-20-24-22-31(27-15-10-8-13-25(24)27)21-23-12-7-9-14-26(23)28/h7-10,12-15,22,29H,3-6,11,16-21H2,1-2H3/p+2