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

Systemtic Name: (2S)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-1-yl-propanamide Openeye Name: (2S)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(1-naphthyl)propanamide CAS Name: (2S)-N-ethyl-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-(1-naphthalenyl)propanamide IUPAC Name: (2S)-N-ethyl-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-1-ylpropanamide Traditional Name: (2S)-N-ethyl-2-[4-(2-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=CC=C4O

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

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