dimethyl-nonyl-[[1-(phenylmethyl)indol-3-yl]methyl]azanium

Systemtic Name: dimethyl-nonyl-[[1-(phenylmethyl)indol-3-yl]methyl]azanium Openeye Name: (1-benzylindol-3-yl)methyl-dimethyl-nonyl-ammonium CAS Name: dimethyl-nonyl-[[1-(phenylmethyl)-3-indolyl]methyl]ammonium IUPAC Name: (1-benzylindol-3-yl)methyl-dimethyl-nonylazanium Traditional Name: (1-benzylindol-3-yl)methyl-dimethyl-nonyl-ammonium Formula: C27H39N2+ MolecularWeight: 391.61196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+](C)(C)CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC[N+](C)(C)CC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C27H39N2/c1-4-5-6-7-8-9-15-20-29(2,3)23-25-22-28(21-24-16-11-10-12-17-24)27-19-14-13-18-26(25)27/h10-14,16-19,22H,4-9,15,20-21,23H2,1-3H3/q+1