3-(2,8-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-2-ium-5-yl)propanenitrile

Systemtic Name: 3-(2,8-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-2-ium-5-yl)propanenitrile Openeye Name: 3-(2,8-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-2-ium-5-yl)propanenitrile CAS Name: 3-(2,8-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-2-ium-5-yl)propanenitrile IUPAC Name: 3-(2,8-dimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-2-ium-5-yl)propanenitrile Traditional Name: 3-(2,8-dimethyl-1,2,3,4-tetrahydropyrid[4,3-b]indol-2-ium-5-yl)propionitrile Formula: C16H20N3+ MolecularWeight: 254.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2C[NH+](CC3)C)CCC#N

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2C[NH+](CC3)C)CCC#N

InChI

InChI=1S/C16H19N3/c1-12-4-5-15-13(10-12)14-11-18(2)9-6-16(14)19(15)8-3-7-17/h4-5,10H,3,6,8-9,11H2,1-2H3/p+1