(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(3-pyridylmethyl)propanamide CAS Name: (2S)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(3-pyridylmethyl)propionamide Formula: C14H23N4O3S+ MolecularWeight: 327.42242

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCC2=CN=CC=C2

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C14H22N4O3S/c1-12(11-22(20,21)18-7-5-15-6-8-18)14(19)17-10-13-3-2-4-16-9-13/h2-4,9,12,15H,5-8,10-11H2,1H3,(H,17,19)/p+1/t12-/m1/s1