(3R)-4-(cyclohexylmethyl)-3-[2-(4-ethanoyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-(cyclohexylmethyl)-3-[2-(4-ethanoyl-1,4-diazepan-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-4-(cyclohexylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-(cyclohexylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-(cyclohexylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-keto-ethyl]-4-(cyclohexylmethyl)piperazin-4-ium-2-one Formula: C20H35N4O3+ MolecularWeight: 379.5169

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3CCCCC3

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3CCCCC3

InChI

InChI=1S/C20H34N4O3/c1-16(25)22-9-5-10-23(13-12-22)19(26)14-18-20(27)21-8-11-24(18)15-17-6-3-2-4-7-17/h17-18H,2-15H2,1H3,(H,21,27)/p+1/t18-/m1/s1