(2R)-2-(aziridin-1-ium-1-yl)-3-butylimino-naphthalene-1,4-dione

Systemtic Name: (2R)-2-(aziridin-1-ium-1-yl)-3-butylimino-naphthalene-1,4-dione Openeye Name: (2R)-2-(aziridin-1-ium-1-yl)-3-butylimino-tetralin-1,4-dione CAS Name: (2R)-2-(1-aziridin-1-iumyl)-3-butyliminonaphthalene-1,4-dione IUPAC Name: (2R)-2-(aziridin-1-ium-1-yl)-3-butyliminonaphthalene-1,4-dione Traditional Name: (3R)-2-butylimino-3-ethylenimin-1-ium-1-yl-tetralin-1,4-quinone Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1C(C(=O)C2=CC=CC=C2C1=O)[NH+]3CC3

Isomeric SMILES

CCCCN=C1[C@H](C(=O)C2=CC=CC=C2C1=O)[NH+]3CC3

InChI

InChI=1S/C16H18N2O2/c1-2-3-8-17-13-14(18-9-10-18)16(20)12-7-5-4-6-11(12)15(13)19/h4-7,14H,2-3,8-10H2,1H3/p+1/t14-/m1/s1