5-(4-ethoxyphenyl)-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)propyl]isoxazole-3-carboxamide CAS Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(4-methyl-1-piperazin-4-iumyl)propyl]-3-isoxazolecarboxamide IUPAC Name: 5-(4-ethoxyphenyl)-N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(4-methylpiperazin-4-ium-1-yl)propyl]-5-p-phenetyl-isoxazole-3-carboxamide Formula: C20H29N4O3+ MolecularWeight: 373.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCC(C)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC[C@H](C)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H28N4O3/c1-4-26-17-7-5-16(6-8-17)19-13-18(22-27-19)20(25)21-14-15(2)24-11-9-23(3)10-12-24/h5-8,13,15H,4,9-12,14H2,1-3H3,(H,21,25)/p+1/t15-/m0/s1