N-(4-methylpiperazin-4-ium-1-yl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propionamide Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)NN3CC[NH+](CC3)C)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)NN3CC[NH+](CC3)C)C4=CC=CS4

InChI

InChI=1S/C21H26N4OS/c1-15-5-7-18-17(14-15)16(21(22-18)19-4-3-13-27-19)6-8-20(26)23-25-11-9-24(2)10-12-25/h3-5,7,13-14,22H,6,8-12H2,1-2H3,(H,23,26)/p+1