ethyl 4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-(2-naphthylmethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(2-naphthalenylmethyl)-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(naphthalen-2-ylmethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-naphthylmethyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H22N2O2/c1-2-22-18(21)20-11-9-19(10-12-20)14-15-7-8-16-5-3-4-6-17(16)13-15/h3-8,13H,2,9-12,14H2,1H3/p+1