2-[4-[(3-methyl-5-phenylmethoxy-1H-indol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[(3-methyl-5-phenylmethoxy-1H-indol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanenitrile Openeye Name: 2-[4-(5-benzyloxy-3-methyl-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetonitrile CAS Name: 2-[4-[(3-methyl-5-phenylmethoxy-1H-indol-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetonitrile IUPAC Name: 2-[4-(3-methyl-5-phenylmethoxy-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetonitrile Traditional Name: 2-[4-(5-benzoxy-3-methyl-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetonitrile Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC#N

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)N4CC[NH+](CC4)CC#N

InChI

InChI=1S/C23H24N4O2/c1-17-20-15-19(29-16-18-5-3-2-4-6-18)7-8-21(20)25-22(17)23(28)27-13-11-26(10-9-24)12-14-27/h2-8,15,25H,10-14,16H2,1H3/p+1