1-[(S)-(4-ethoxyphenyl)-pyridin-4-yl-methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(4-ethoxyphenyl)-pyridin-4-yl-methyl]piperazin-4-ium Openeye Name: 1-[(S)-(4-ethoxyphenyl)-(4-pyridyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(4-ethoxyphenyl)-pyridin-4-ylmethyl]piperazin-4-ium IUPAC Name: 1-[(S)-(4-ethoxyphenyl)-pyridin-4-ylmethyl]piperazin-4-ium Traditional Name: 1-[(S)-p-phenetyl(4-pyridyl)methyl]piperazin-4-ium Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=NC=C2)N3CC[NH2+]CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](C2=CC=NC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C18H23N3O/c1-2-22-17-5-3-15(4-6-17)18(16-7-9-19-10-8-16)21-13-11-20-12-14-21/h3-10,18,20H,2,11-14H2,1H3/p+1/t18-/m0/s1