[(2S)-2-(3-methylthiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(3-methylthiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(3-methyl-2-thienyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(3-methyl-2-thiophenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2S)-2-(3-methylthiophen-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(3-methyl-2-thienyl)-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C16H24N4S+2 MolecularWeight: 304.45356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(SC=C1)[C@H](C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H22N4S/c1-13-5-11-21-16(13)14(12-17)19-7-9-20(10-8-19)15-4-2-3-6-18-15/h2-6,11,14H,7-10,12,17H2,1H3/p+2/t14-/m0/s1