aminocarbonyl-[1-[(phenylmethyl)amino]propyl]-[2-(phenylsulfonyl)ethyl]-propan-2-yl-azanium

Systemtic Name: aminocarbonyl-[1-[(phenylmethyl)amino]propyl]-[2-(phenylsulfonyl)ethyl]-propan-2-yl-azanium Openeye Name: 2-(benzenesulfonyl)ethyl-[1-(benzylamino)propyl]-carbamoyl-isopropyl-ammonium CAS Name: 2-(benzenesulfonyl)ethyl-carbamoyl-[1-[(phenylmethyl)amino]propyl]-propan-2-ylammonium IUPAC Name: 2-(benzenesulfonyl)ethyl-[1-(benzylamino)propyl]-carbamoyl-propan-2-ylazanium Traditional Name: 1-(benzylamino)propyl-(2-besylethyl)-carbamoyl-isopropyl-ammonium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NCC1=CC=CC=C1)[N+](CCS(=O)(=O)C2=CC=CC=C2)(C(C)C)C(=O)N

Isomeric SMILES

CCC(NCC1=CC=CC=C1)[N+](CCS(=O)(=O)C2=CC=CC=C2)(C(C)C)C(=O)N

InChI

InChI=1S/C22H31N3O3S/c1-4-21(24-17-19-11-7-5-8-12-19)25(18(2)3,22(23)26)15-16-29(27,28)20-13-9-6-10-14-20/h5-14,18,21,24H,4,15-17H2,1-3H3,(H-,23,26)/p+1