1-(6-piperidin-1-ium-1-ylidenexanthen-3-yl)piperidine nitrate

Systemtic Name: 1-(6-piperidin-1-ium-1-ylidenexanthen-3-yl)piperidine nitrate Openeye Name: 1-(6-piperidin-1-ium-1-ylidenexanthen-3-yl)piperidine nitrate CAS Name: 1-[6-(1-piperidin-1-iumylidene)-3-xanthenyl]piperidine nitrate IUPAC Name: 1-(6-piperidin-1-ium-1-ylidenexanthen-3-yl)piperidine nitrate Traditional Name: 1-(6-piperidin-1-ium-1-ylidenexanthen-3-yl)piperidine nitrate Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)C=C4C=CC(=[N+]5CCCCC5)C=C4O3.[N+](=O)([O-])[O-]

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)C=C4C=CC(=[N+]5CCCCC5)C=C4O3.[N+](=O)([O-])[O-]

InChI

InChI=1S/C23H27N2O.NO3/c1-3-11-24(12-4-1)20-9-7-18-15-19-8-10-21(25-13-5-2-6-14-25)17-23(19)26-22(18)16-20;2-1(3)4/h7-10,15-17H,1-6,11-14H2;/q+1;-1