3-[3-(3-azanylpropyl)-1-methyl-indol-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[3-(3-azanylpropyl)-1-methyl-indol-1-ium-1-yl]propanenitrile Openeye Name: 3-[3-(3-aminopropyl)-1-methyl-indol-1-ium-1-yl]propanenitrile CAS Name: 3-[3-(3-aminopropyl)-1-methyl-1-indol-1-iumyl]propanenitrile IUPAC Name: 3-[3-(3-aminopropyl)-1-methylindol-1-ium-1-yl]propanenitrile Traditional Name: 3-[3-(3-aminopropyl)-1-methyl-indol-1-ium-1-yl]propionitrile Formula: C15H20N3+ MolecularWeight: 242.3394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C2=CC=CC=C21)CCCN)CCC#N

Isomeric SMILES

C[N+]1(C=C(C2=CC=CC=C21)CCCN)CCC#N

InChI

InChI=1S/C15H20N3/c1-18(11-5-10-17)12-13(6-4-9-16)14-7-2-3-8-15(14)18/h2-3,7-8,12H,4-6,9,11,16H2,1H3/q+1