ethyl 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-yl-methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-yl-methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(S)-(2-methyl-1H-indol-3-yl)-(2-thienyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(S)-(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(S)-(2-methyl-1H-indol-3-yl)-(2-thienyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CC=CS2)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C2=CC=CS2)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C21H25N3O2S/c1-3-26-21(25)24-12-10-23(11-13-24)20(18-9-6-14-27-18)19-15(2)22-17-8-5-4-7-16(17)19/h4-9,14,20,22H,3,10-13H2,1-2H3/p+1/t20-/m1/s1