1-[4-[4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H31N2O2+ MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H30N2O2/c1-18(4-5-20-6-12-23(27-3)13-7-20)24-14-16-25(17-15-24)22-10-8-21(9-11-22)19(2)26/h6-13,18H,4-5,14-17H2,1-3H3/p+1/t18-/m0/s1