[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[2-keto-2-(4-phenylpiperazino)ethyl]ammonium Formula: C25H30N3OS+ MolecularWeight: 420.5902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3OS/c1-2-20-10-12-21(13-11-20)25(23-9-6-18-30-23)26-19-24(29)28-16-14-27(15-17-28)22-7-4-3-5-8-22/h3-13,18,25-26H,2,14-17,19H2,1H3/p+1/t25-/m1/s1