3-[2-[2-(aminomethyl)-3-methyl-butyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile

Systemtic Name: 3-[2-[2-(aminomethyl)-3-methyl-butyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxidanylidene-1H-imidazol-3-ium-5-carbonitrile Openeye Name: 3-[2-[2-(aminomethyl)-3-methyl-butyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile CAS Name: 3-[2-[2-(aminomethyl)-3-methylbutyl]-1H-indol-3-yl]-3-(1-methyl-3-indolyl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile IUPAC Name: 3-[2-[2-(aminomethyl)-3-methylbutyl]-1H-indol-3-yl]-3-(1-methylindol-3-yl)-2-oxo-1H-imidazol-3-ium-5-carbonitrile Traditional Name: 1-[2-[2-(aminomethyl)-3-methyl-butyl]-1H-indol-3-yl]-2-keto-1-(1-methylindol-3-yl)-4-imidazolin-1-ium-4-carbonitrile Formula: C27H29N6O+ MolecularWeight: 453.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=C(C2=CC=CC=C2N1)[N+]3(C=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)C)CN

Isomeric SMILES

CC(C)C(CC1=C(C2=CC=CC=C2N1)[N+]3(C=C(NC3=O)C#N)C4=CN(C5=CC=CC=C54)C)CN

InChI

InChI=1S/C27H28N6O/c1-17(2)18(13-28)12-23-26(20-8-4-6-10-22(20)31-23)33(16-19(14-29)30-27(33)34)25-15-32(3)24-11-7-5-9-21(24)25/h4-11,15-18,31H,12-13,28H2,1-3H3/p+1