(3S)-1-(3-chloranylpyridin-1-ium-2-yl)-3-methyl-piperazin-4-ium

Systemtic Name: (3S)-1-(3-chloranylpyridin-1-ium-2-yl)-3-methyl-piperazin-4-ium Openeye Name: (3S)-1-(3-chloropyridin-1-ium-2-yl)-3-methyl-piperazin-4-ium CAS Name: (3S)-1-(3-chloro-2-pyridin-1-iumyl)-3-methylpiperazin-4-ium IUPAC Name: (3S)-1-(3-chloropyridin-1-ium-2-yl)-3-methylpiperazin-4-ium Traditional Name: (3S)-1-(3-chloropyridin-1-ium-2-yl)-3-methyl-piperazin-4-ium Formula: C10H16ClN3+2 MolecularWeight: 213.70714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=CC=[NH+]2)Cl

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=C(C=CC=[NH+]2)Cl

InChI

InChI=1S/C10H14ClN3/c1-8-7-14(6-5-12-8)10-9(11)3-2-4-13-10/h2-4,8,12H,5-7H2,1H3/p+2/t8-/m0/s1