[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium

Systemtic Name: [2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-[(1R)-1-phenylethyl]azanium Openeye Name: [2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-[(1R)-1-phenylethyl]ammonium CAS Name: [2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-[(1R)-1-phenylethyl]ammonium IUPAC Name: [2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium Traditional Name: [2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]-[(1R)-1-phenylethyl]ammonium Formula: C25H31N3O+2 MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O/c1-20(21-8-3-2-4-9-21)26-18-25(29)28-16-14-27(15-17-28)19-23-12-7-11-22-10-5-6-13-24(22)23/h2-13,20,26H,14-19H2,1H3/p+2/t20-/m1/s1