4-[(E)-3-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxy-phenol

Systemtic Name: 4-[(E)-3-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxy-phenol Openeye Name: 4-[(E)-3-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxy-phenol CAS Name: 4-[(E)-3-[(3S)-3-[4-(3-chlorophenyl)-1-piperazinyl]-1-piperidin-1-iumyl]prop-1-enyl]-2-methoxyphenol IUPAC Name: 4-[(E)-3-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxyphenol Traditional Name: 4-[(E)-3-[(3S)-3-[4-(3-chlorophenyl)piperazino]piperidin-1-ium-1-yl]prop-1-enyl]-2-methoxy-phenol Formula: C25H33ClN3O2+ MolecularWeight: 443.00142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC[NH+]2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC(=CC=C4)Cl)O

InChI

InChI=1S/C25H32ClN3O2/c1-31-25-17-20(9-10-24(25)30)5-3-11-27-12-4-8-23(19-27)29-15-13-28(14-16-29)22-7-2-6-21(26)18-22/h2-3,5-7,9-10,17-18,23,30H,4,8,11-16,19H2,1H3/p+1/b5-3+/t23-/m0/s1