(2-methyl-1H-indol-3-yl)methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: (2-methyl-1H-indol-3-yl)methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]azanium Openeye Name: (2-methyl-1H-indol-3-yl)methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]ammonium CAS Name: (2-methyl-1H-indol-3-yl)methyl-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: (2-methyl-1H-indol-3-yl)methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]azanium Traditional Name: (2-methyl-1H-indol-3-yl)methyl-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]ammonium Formula: C21H30N4S+2 MolecularWeight: 370.5547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C[NH2+]CC(C3=CC=CS3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[NH2+]C[C@H](C3=CC=CS3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H28N4S/c1-16-18(17-6-3-4-7-19(17)23-16)14-22-15-20(21-8-5-13-26-21)25-11-9-24(2)10-12-25/h3-8,13,20,22-23H,9-12,14-15H2,1-2H3/p+2/t20-/m1/s1