1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(1R)-3-(4-methoxyphenyl)-1-methyl-propyl]-4-phenyl-piperazin-1-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O/c1-18(8-9-19-10-12-21(24-2)13-11-19)22-14-16-23(17-15-22)20-6-4-3-5-7-20/h3-7,10-13,18H,8-9,14-17H2,1-2H3/p+1/t18-/m1/s1