(2S)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(5-chloro-2-methoxy-phenyl)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]propionamide Formula: C19H25ClN3O3+ MolecularWeight: 378.8731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)[NH+]2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H24ClN3O3/c1-14(19(24)21-17-12-15(20)5-6-18(17)25-2)23-9-7-22(8-10-23)13-16-4-3-11-26-16/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,21,24)/p+1/t14-/m0/s1