4-[5-(1-adamantyl)-2-pyridin-3-yl-1H-indol-3-yl]butylazanium

Systemtic Name: 4-[5-(1-adamantyl)-2-pyridin-3-yl-1H-indol-3-yl]butylazanium Openeye Name: 4-[5-(1-adamantyl)-2-(3-pyridyl)-1H-indol-3-yl]butylammonium CAS Name: 4-[5-(1-adamantyl)-2-(3-pyridinyl)-1H-indol-3-yl]butylammonium IUPAC Name: 4-[5-(1-adamantyl)-2-pyridin-3-yl-1H-indol-3-yl]butylazanium Traditional Name: 4-[5-(1-adamantyl)-2-(3-pyridyl)-1H-indol-3-yl]butylammonium Formula: C27H34N3+ MolecularWeight: 400.57896

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCC[NH3+])C6=CN=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)NC(=C5CCCC[NH3+])C6=CN=CC=C6

InChI

InChI=1S/C27H33N3/c28-8-2-1-5-23-24-13-22(27-14-18-10-19(15-27)12-20(11-18)16-27)6-7-25(24)30-26(23)21-4-3-9-29-17-21/h3-4,6-7,9,13,17-20,30H,1-2,5,8,10-12,14-16,28H2/p+1