N-[(2-methylphenyl)methyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-[(2-methylphenyl)methyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(o-tolylmethyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-[(2-methylphenyl)methyl]-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-[(2-methylphenyl)methyl]-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(2-methylbenzyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CCS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)CCS(=O)(=O)N2CC[NH2+]CC2

InChI

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