(3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azocanyl)-2-oxoethyl]-4-[(2-ethoxyphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(2-ethoxyphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azocan-1-yl)-2-keto-ethyl]-4-(2-ethoxybenzyl)piperazin-4-ium-2-one Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCCCCC3

InChI

InChI=1S/C22H33N3O3/c1-2-28-20-11-7-6-10-18(20)17-25-15-12-23-22(27)19(25)16-21(26)24-13-8-4-3-5-9-14-24/h6-7,10-11,19H,2-5,8-9,12-17H2,1H3,(H,23,27)/p+1/t19-/m1/s1