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

Systemtic Name: 1-[(S)-pyridin-2-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-2-pyridyl(tetralin-6-yl)methyl]piperazin-4-ium CAS Name: 1-[(S)-2-pyridinyl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-pyridin-2-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-2-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=CC=CC=N3)N4CC[NH2+]CC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)[C@@H](C3=CC=CC=N3)N4CC[NH2+]CC4

InChI

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