4-oxidanylidene-4-[2-[2-(2-piperidin-1-ium-1-ylethoxy)naphthalen-1-yl]ethylamino]butanoate

Systemtic Name: 4-oxidanylidene-4-[2-[2-(2-piperidin-1-ium-1-ylethoxy)naphthalen-1-yl]ethylamino]butanoate Openeye Name: 4-oxo-4-[2-[2-(2-piperidin-1-ium-1-ylethoxy)-1-naphthyl]ethylamino]butanoate CAS Name: 4-oxo-4-[2-[2-[2-(1-piperidin-1-iumyl)ethoxy]-1-naphthalenyl]ethylamino]butanoate IUPAC Name: 4-oxo-4-[2-[2-(2-piperidin-1-ium-1-ylethoxy)naphthalen-1-yl]ethylamino]butanoate Traditional Name: 4-keto-4-[2-[2-(2-piperidin-1-ium-1-ylethoxy)-1-naphthyl]ethylamino]butyrate Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C3=CC=CC=C3C=C2)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C3=CC=CC=C3C=C2)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C23H30N2O4/c26-22(10-11-23(27)28)24-13-12-20-19-7-3-2-6-18(19)8-9-21(20)29-17-16-25-14-4-1-5-15-25/h2-3,6-9H,1,4-5,10-17H2,(H,24,26)(H,27,28)