1-[2-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylphenyl]ethanone

Systemtic Name: 1-[2-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylphenyl]ethanone Openeye Name: 1-[2-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]phenyl]ethanone CAS Name: 1-[2-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]phenyl]ethanone IUPAC Name: 1-[2-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]phenyl]ethanone Traditional Name: 1-[2-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]phenyl]ethanone Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H31N3O3/c1-19(29)21-9-3-4-10-22(21)25(30)28-13-7-8-20(18-28)26-14-16-27(17-15-26)23-11-5-6-12-24(23)31-2/h3-6,9-12,20H,7-8,13-18H2,1-2H3/p+1/t20-/m0/s1