4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,6-diethylphenyl)-N-methyl-piperazin-4-ium-2-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-4-(2,6-diethylphenyl)-N-methyl-piperazin-4-ium-2-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-4-(2,6-diethylphenyl)-N-methyl-piperazin-4-ium-2-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-4-(2,6-diethylphenyl)-N-methyl-2-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-4-(2,6-diethylphenyl)-N-methylpiperazin-4-ium-2-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-4-(2,6-diethylphenyl)-N-methyl-piperazin-4-ium-2-carboxamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)[N+]2(CCNC(C2)C(=O)NC)CC(=O)N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)[N+]2(CCNC(C2)C(=O)NC)CC(=O)N

InChI

InChI=1S/C18H28N4O2/c1-4-13-7-6-8-14(5-2)17(13)22(12-16(19)23)10-9-21-15(11-22)18(24)20-3/h6-8,15,21H,4-5,9-12H2,1-3H3,(H2-,19,20,23,24)/p+1