2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N,N-bis(prop-2-enyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N,N-bis(prop-2-enyl)ethanamide Openeye Name: N,N-diallyl-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N,N-bis(prop-2-enyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N,N-bis(prop-2-enyl)acetamide Traditional Name: N,N-diallyl-2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N(CC=C)CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(CC=C)CC=C

InChI

InChI=1S/C21H29N3O3/c1-4-12-23(13-5-2)20(25)15-19-21(26)22-11-14-24(19)16-17-7-9-18(10-8-17)27-6-3/h4-5,7-10,19H,1-2,6,11-16H2,3H3,(H,22,26)/p+1/t19-/m1/s1