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

Systemtic Name: N-[(1S)-1-phenylethyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-[(1S)-1-phenylethyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-[(1S)-1-phenylethyl]-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-[(1S)-1-phenylethyl]-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-[(1S)-1-phenylethyl]-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CCS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CCS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H23N3O3S/c1-13(14-5-3-2-4-6-14)17-15(19)7-12-22(20,21)18-10-8-16-9-11-18/h2-6,13,16H,7-12H2,1H3,(H,17,19)/p+1/t13-/m0/s1