(3S,4S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol

Systemtic Name: (3S,4S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Openeye Name: (3S,4S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol CAS Name: (3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S,4S)-1-[(4-methoxy-3-methylphenyl)methyl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrrolidin-1-ium-3-ol Traditional Name: (3S,4S)-1-(4-methoxy-3-methyl-benzyl)-4-(4-pyridin-1-ium-2-ylpiperazino)pyrrolidin-1-ium-3-ol Formula: C22H32N4O2+2 MolecularWeight: 384.51508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CC(C(C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2C[C@@H]([C@H](C2)O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C22H30N4O2/c1-17-13-18(6-7-21(17)28-2)14-24-15-19(20(27)16-24)25-9-11-26(12-10-25)22-5-3-4-8-23-22/h3-8,13,19-20,27H,9-12,14-16H2,1-2H3/p+2/t19-,20-/m0/s1