(2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-phenyl-butan-1-one

Systemtic Name: (2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-phenyl-butan-1-one Openeye Name: (2S)-1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-2-phenyl-butan-1-one CAS Name: (2S)-1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-2-phenyl-1-butanone IUPAC Name: (2S)-1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-phenylbutan-1-one Traditional Name: (2S)-1-[4-(2-furfuryl)piperazin-4-ium-1-yl]-2-phenyl-butan-1-one Formula: C19H25N2O2+ MolecularWeight: 313.414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C19H24N2O2/c1-2-18(16-7-4-3-5-8-16)19(22)21-12-10-20(11-13-21)15-17-9-6-14-23-17/h3-9,14,18H,2,10-13,15H2,1H3/p+1/t18-/m0/s1