[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Openeye Name: [2-[benzyl(2-thienylmethyl)amino]-2-oxo-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium CAS Name: [2-oxo-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]-[2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-(2-pyrrolidin-1-ium-1-ylethyl)azanium Traditional Name: [2-[benzyl(2-thenyl)amino]-2-keto-ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)ammonium Formula: C20H29N3OS+2 MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH2+]CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)CC[NH2+]CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C20H27N3OS/c24-20(15-21-10-13-22-11-4-5-12-22)23(17-19-9-6-14-25-19)16-18-7-2-1-3-8-18/h1-3,6-9,14,21H,4-5,10-13,15-17H2/p+2