methyl-(phenylmethyl)-[3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propyl]azanium Openeye Name: benzyl-methyl-[3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propyl]ammonium CAS Name: methyl-[3-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propyl]azanium Traditional Name: benzyl-methyl-[3-[(4-pyrrolidinosulfonylbenzoyl)amino]propyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-24(18-19-8-3-2-4-9-19)15-7-14-23-22(26)20-10-12-21(13-11-20)29(27,28)25-16-5-6-17-25/h2-4,8-13H,5-7,14-18H2,1H3,(H,23,26)/p+1