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

Systemtic Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-4-ylmethyl)propanamide Openeye Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(4-pyridylmethyl)propanamide CAS Name: (2S)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(pyridin-4-ylmethyl)propanamide Traditional Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(4-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=CC=NC=C2

Isomeric SMILES

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

InChI

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