1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-[(4,5-dimethyl-2-furanyl)methyl]-3-piperidin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-[(4,5-dimethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-4-(2-methoxyphenyl)piperazine Formula: C23H34N3O2+ MolecularWeight: 384.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC)C

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4OC)C

InChI

InChI=1S/C23H33N3O2/c1-18-15-21(28-19(18)2)17-24-10-6-7-20(16-24)25-11-13-26(14-12-25)22-8-4-5-9-23(22)27-3/h4-5,8-9,15,20H,6-7,10-14,16-17H2,1-3H3/p+1/t20-/m0/s1