(2S)-2-methyl-N-[(1R)-1-phenylethyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: (2S)-2-methyl-N-[(1R)-1-phenylethyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-2-methyl-N-[(1R)-1-phenylethyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-2-methyl-N-[(1R)-1-phenylethyl]-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-2-methyl-N-[(1R)-1-phenylethyl]-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-2-methyl-N-[(1R)-1-phenylethyl]-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-13(12-23(21,22)19-10-8-17-9-11-19)16(20)18-14(2)15-6-4-3-5-7-15/h3-7,13-14,17H,8-12H2,1-2H3,(H,18,20)/p+1/t13-,14-/m1/s1