[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone

Systemtic Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone Openeye Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(2-methyl-3-furyl)methanone CAS Name: [(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-(2-methyl-3-furanyl)methanone IUPAC Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone Traditional Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-(2-methyl-3-furyl)methanone Formula: C22H30N3O3+ MolecularWeight: 384.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H29N3O3/c1-17-19(9-15-28-17)22(26)25-10-5-6-18(16-25)23-11-13-24(14-12-23)20-7-3-4-8-21(20)27-2/h3-4,7-9,15,18H,5-6,10-14,16H2,1-2H3/p+1/t18-/m0/s1