1-[(S)-pyridin-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-pyridin-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-3-pyridyl(tetralin-6-yl)methyl]piperazin-4-ium CAS Name: 1-[(S)-3-pyridinyl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-pyridin-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-3-pyridyl(tetralin-6-yl)methyl]piperazin-4-ium Formula: C20H26N3+ MolecularWeight: 308.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(C3=CN=CC=C3)N4CC[NH2+]CC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)[C@@H](C3=CN=CC=C3)N4CC[NH2+]CC4

InChI

InChI=1S/C20H25N3/c1-2-5-17-14-18(8-7-16(17)4-1)20(19-6-3-9-22-15-19)23-12-10-21-11-13-23/h3,6-9,14-15,20-21H,1-2,4-5,10-13H2/p+1/t20-/m0/s1