1-ethyl-4-(3-methylbutylamino)piperidin-1-ium-4-carbonitrile

Systemtic Name: 1-ethyl-4-(3-methylbutylamino)piperidin-1-ium-4-carbonitrile Openeye Name: 1-ethyl-4-(isopentylamino)piperidin-1-ium-4-carbonitrile CAS Name: 1-ethyl-4-(3-methylbutylamino)-4-piperidin-1-iumcarbonitrile IUPAC Name: 1-ethyl-4-(3-methylbutylamino)piperidin-1-ium-4-carbonitrile Traditional Name: 1-ethyl-4-(isoamylamino)piperidin-1-ium-4-carbonitrile Formula: C13H26N3+ MolecularWeight: 224.36564

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)(C#N)NCCC(C)C

Isomeric SMILES

CC[NH+]1CCC(CC1)(C#N)NCCC(C)C

InChI

InChI=1S/C13H25N3/c1-4-16-9-6-13(11-14,7-10-16)15-8-5-12(2)3/h12,15H,4-10H2,1-3H3/p+1