N-[4-(1-adamantyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Openeye Name: N-[4-(1-adamantyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine CAS Name: N-[4-(1-adamantyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine IUPAC Name: N-[4-(1-adamantyl)phenyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine Traditional Name: [4-(1-adamantyl)phenyl]-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine Formula: C22H31N2+ MolecularWeight: 323.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC(=[NH+]CC1)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2/c1-2-4-21(23-9-3-1)24-20-7-5-19(6-8-20)22-13-16-10-17(14-22)12-18(11-16)15-22/h5-8,16-18H,1-4,9-15H2,(H,23,24)/p+1