(2S)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-1-yl-propanamide

Systemtic Name: (2S)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-1-yl-propanamide Openeye Name: (2S)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(1-naphthyl)propanamide CAS Name: (2S)-N-ethyl-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(1-naphthalenyl)propanamide IUPAC Name: (2S)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide Traditional Name: (2S)-N-ethyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(1-naphthyl)propionamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C(=O)C(C)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C25H29N3O2/c1-3-28(24-10-6-8-20-7-4-5-9-23(20)24)25(30)19(2)26-15-17-27(18-16-26)21-11-13-22(29)14-12-21/h4-14,19,29H,3,15-18H2,1-2H3/p+1/t19-/m0/s1