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

Systemtic Name: (2S)-2-methyl-N-(phenylmethyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-N-benzyl-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-2-methyl-N-(phenylmethyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-benzyl-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-N-benzyl-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3S/c1-13(12-22(20,21)18-9-7-16-8-10-18)15(19)17-11-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,17,19)/p+1/t13-/m1/s1