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

Systemtic Name: 1-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazin-4-ium Openeye Name: 1-[(2S)-2-pyrrolidin-1-ium-1-yl-2-tetralin-6-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazin-4-ium Traditional Name: 1-[(2S)-2-pyrrolidin-1-ium-1-yl-2-tetralin-6-yl-ethyl]piperazin-4-ium Formula: C20H33N3+2 MolecularWeight: 315.49612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(CN3CC[NH2+]CC3)[NH+]4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)[C@@H](CN3CC[NH2+]CC3)[NH+]4CCCC4

InChI

InChI=1S/C20H31N3/c1-2-6-18-15-19(8-7-17(18)5-1)20(23-11-3-4-12-23)16-22-13-9-21-10-14-22/h7-8,15,20-21H,1-6,9-14,16H2/p+2/t20-/m1/s1