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

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C18H21N3OS/c1-21(11-14-7-9-23-13-14)12-18(22)19-8-6-15-10-20-17-5-3-2-4-16(15)17/h2-5,7,9-10,13,20H,6,8,11-12H2,1H3,(H,19,22)/p+1