2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-1H-indol-2-yl)methyl]acetamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=C(C4=CC=CC=C4N3)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=C(C4=CC=CC=C4N3)C

InChI

InChI=1S/C26H32N4O3/c1-4-33-24-12-8-5-9-19(24)16-30-14-13-27-26(32)23(30)15-25(31)29(3)17-22-18(2)20-10-6-7-11-21(20)28-22/h5-12,23,28H,4,13-17H2,1-3H3,(H,27,32)/p+1/t23-/m1/s1