4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,6-dimethyl-4-phenylmethoxy-phenyl)piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,6-dimethyl-4-phenylmethoxy-phenyl)piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-4-(4-benzyloxy-2,6-dimethyl-phenyl)piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-4-(2,6-dimethyl-4-phenylmethoxyphenyl)-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-4-(2,6-dimethyl-4-phenylmethoxyphenyl)piperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-4-(4-benzoxy-2,6-dimethyl-phenyl)piperazin-4-ium-2-carboxamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+]2(CCNC(C2)C(=O)N)CC(=O)N)C)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1[N+]2(CCNC(C2)C(=O)N)CC(=O)N)C)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-15-10-18(29-14-17-6-4-3-5-7-17)11-16(2)21(15)26(13-20(23)27)9-8-25-19(12-26)22(24)28/h3-7,10-11,19,25H,8-9,12-14H2,1-2H3,(H3-,23,24,27,28)/p+1