[(2S)-2-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: [(2S)-2-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethyl]azanium Openeye Name: [(2S)-2-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethyl]ammonium CAS Name: [(2S)-2-[4-(cyclohexylmethyl)-1-piperazin-4-iumyl]-2-thiophen-2-ylethyl]ammonium IUPAC Name: [(2S)-2-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-ylethyl]azanium Traditional Name: [(2S)-2-[4-(cyclohexylmethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethyl]ammonium Formula: C17H31N3S+2 MolecularWeight: 309.51314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2)C(C[NH3+])C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(CC2)[C@@H](C[NH3+])C3=CC=CS3

InChI

InChI=1S/C17H29N3S/c18-13-16(17-7-4-12-21-17)20-10-8-19(9-11-20)14-15-5-2-1-3-6-15/h4,7,12,15-16H,1-3,5-6,8-11,13-14,18H2/p+2/t16-/m0/s1