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

Systemtic Name: 1-[(S)-pyridin-4-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium Openeye Name: 1-[(S)-4-pyridyl(tetralin-6-yl)methyl]piperazin-4-ium CAS Name: 1-[(S)-pyridin-4-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-pyridin-4-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(S)-4-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=NC=C3)N4CC[NH2+]CC4

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3/c1-2-4-18-15-19(6-5-16(18)3-1)20(17-7-9-21-10-8-17)23-13-11-22-12-14-23/h5-10,15,20,22H,1-4,11-14H2/p+1/t20-/m1/s1