(3R)-3-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-[4-(2-thenyl)-1,4-diazepan-1-yl]ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C24H33N4O2S+ MolecularWeight: 441.60942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C24H32N4O2S/c29-23(28-12-5-11-26(15-16-28)19-21-8-4-17-31-21)18-22-24(30)25-10-14-27(22)13-9-20-6-2-1-3-7-20/h1-4,6-8,17,22H,5,9-16,18-19H2,(H,25,30)/p+1/t22-/m1/s1