(2S)-2-[(3-ethanoylphenyl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: (2S)-2-[(3-ethanoylphenyl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: (2S)-2-(3-acetylanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: (2S)-2-(3-acetylanilino)-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(3-acetylanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: (2S)-2-(3-acetylanilino)-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C17H25N3O2/c1-4-19-8-10-20(11-9-19)17(22)13(2)18-16-7-5-6-15(12-16)14(3)21/h5-7,12-13,18H,4,8-11H2,1-3H3/p+1/t13-/m0/s1