[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2,3-dimethyl-1-(phenylmethyl)indol-5-yl]-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-benzyl-2,3-dimethyl-indol-5-yl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2,3-dimethyl-1-(phenylmethyl)-5-indolyl]-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-2,3-dimethylindol-5-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-benzyl-2,3-dimethyl-indol-5-yl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CO4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CO4)CC5=CC=CC=C5)C

InChI

InChI=1S/C27H29N3O2/c1-20-21(2)30(18-22-7-4-3-5-8-22)26-11-10-23(17-25(20)26)27(31)29-14-12-28(13-15-29)19-24-9-6-16-32-24/h3-11,16-17H,12-15,18-19H2,1-2H3/p+1