[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-methyl-(o-tolylmethyl)ammonium CAS Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](C)CC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC=C1C[NH+](C)CC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H25N3O/c1-16-7-3-4-8-18(16)14-24(2)15-21(25)22-12-11-17-13-23-20-10-6-5-9-19(17)20/h3-10,13,23H,11-12,14-15H2,1-2H3,(H,22,25)/p+1