1-[1,3-bis(3-methoxy-2-nitro-phenyl)-4-pyrrolidin-1-ium-1-ylidene-butan-2-yl]pyrrolidine

Systemtic Name: 1-[1,3-bis(3-methoxy-2-nitro-phenyl)-4-pyrrolidin-1-ium-1-ylidene-butan-2-yl]pyrrolidine Openeye Name: 1-[2-(3-methoxy-2-nitro-phenyl)-1-[(3-methoxy-2-nitro-phenyl)methyl]-3-pyrrolidin-1-ium-1-ylidene-propyl]pyrrolidine CAS Name: 1-[1,3-bis(3-methoxy-2-nitrophenyl)-4-(1-pyrrolidin-1-iumylidene)butan-2-yl]pyrrolidine IUPAC Name: 1-[1,3-bis(3-methoxy-2-nitrophenyl)-4-pyrrolidin-1-ium-1-ylidenebutan-2-yl]pyrrolidine Traditional Name: 1-[1-(3-methoxy-2-nitro-benzyl)-2-(3-methoxy-2-nitro-phenyl)-3-pyrrolidin-1-ium-1-ylidene-propyl]pyrrolidine Formula: C26H33N4O6+ MolecularWeight: 497.56342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[N+](=O)[O-])CC(C(C=[N+]2CCCC2)C3=C(C(=CC=C3)OC)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1[N+](=O)[O-])CC(C(C=[N+]2CCCC2)C3=C(C(=CC=C3)OC)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C26H33N4O6/c1-35-23-11-7-9-19(25(23)29(31)32)17-22(28-15-5-6-16-28)21(18-27-13-3-4-14-27)20-10-8-12-24(36-2)26(20)30(33)34/h7-12,18,21-22H,3-6,13-17H2,1-2H3/q+1