4-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]phenol

Systemtic Name: 4-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]phenol Openeye Name: 4-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]phenol CAS Name: 4-[(3R)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]butyl]phenol IUPAC Name: 4-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]phenol Traditional Name: 4-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]butyl]phenol Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)O)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H28N2O2/c1-17(7-8-18-9-11-19(24)12-10-18)22-13-15-23(16-14-22)20-5-3-4-6-21(20)25-2/h3-6,9-12,17,24H,7-8,13-16H2,1-2H3/p+1/t17-/m1/s1