1-[9-(phenylmethyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine

Systemtic Name: 1-[9-(phenylmethyl)-6-piperidin-1-ium-1-ylidene-xanthen-3-yl]piperidine Openeye Name: 1-(9-benzyl-6-piperidin-1-ium-1-ylidene-xanthen-3-yl)piperidine CAS Name: 1-[9-(phenylmethyl)-6-(1-piperidin-1-iumylidene)-3-xanthenyl]piperidine IUPAC Name: 1-(9-benzyl-6-piperidin-1-ium-1-ylidenexanthen-3-yl)piperidine Traditional Name: 1-(9-benzyl-6-piperidin-1-ium-1-ylidene-xanthen-3-yl)piperidine Formula: C30H33N2O+ MolecularWeight: 437.59582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)CC6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)CC6=CC=CC=C6

InChI

InChI=1S/C30H33N2O/c1-4-10-23(11-5-1)20-28-26-14-12-24(31-16-6-2-7-17-31)21-29(26)33-30-22-25(13-15-27(28)30)32-18-8-3-9-19-32/h1,4-5,10-15,21-22H,2-3,6-9,16-20H2/q+1