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

Systemtic Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone Openeye Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-tetralin-6-yl-methanone CAS Name: [4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone IUPAC Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone Traditional Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-tetralin-6-yl-methanone Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H25N3O/c25-21(20-6-5-18-3-1-2-4-19(18)15-20)24-13-11-23(12-14-24)16-17-7-9-22-10-8-17/h5-10,15H,1-4,11-14,16H2/p+1