(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-propan-2-yl-propanamide

Systemtic Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-propan-2-yl-propanamide Openeye Name: (2S)-N-isopropyl-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]-N-propan-2-ylpropanamide IUPAC Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-propan-2-ylpropanamide Traditional Name: (2S)-N-isopropyl-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propionamide Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH+]1CCN(CC1)CCOC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH+]1CCN(CC1)CCOC2=CC=CC=C2

InChI

InChI=1S/C18H29N3O2/c1-15(2)19-18(22)16(3)21-11-9-20(10-12-21)13-14-23-17-7-5-4-6-8-17/h4-8,15-16H,9-14H2,1-3H3,(H,19,22)/p+1/t16-/m0/s1